##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section B. It has been peer reviewed under the auspices  #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary may be obtained from        #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#           Copyright International Union of Crystallography                 #
#                                                                            #
##############################################################################

data_BABIO3_4K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     2.96
_refine_ls_number_parameters     63
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.06
_refine_ls_shift/su_mean     0.01
_computing_structure_refinement     GSAS
data_BABIO3_200K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     2.04
_refine_ls_number_parameters     50
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.03
_refine_ls_shift/su_mean     0.00
_computing_structure_refinement     GSAS
data_BABIO3_498K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     1.29
_refine_ls_number_parameters     34
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.07
_refine_ls_shift/su_mean     0.01
_computing_structure_refinement     GSAS
data_BABIO3_893K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     1.30
_refine_ls_number_parameters     27
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.04
_refine_ls_shift/su_mean     0.01
_computing_structure_refinement     GSAS
data_BA2BISBO6_4K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     2.42
_refine_ls_number_parameters     44
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.02
_refine_ls_shift/su_mean     0.00
_computing_structure_refinement     GSAS
data_BA2BISBO6_325K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     2.03
_refine_ls_number_parameters     35
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.02
_refine_ls_shift/su_mean     0.00
_computing_structure_refinement     GSAS
data_BA2BISBO6_570K_overall
_audit_creation_method     "from EXP file using GSAS2CIF"
_refine_ls_matrix_type     full
_refine_ls_goodness_of_fit_all     1.16
_refine_ls_number_parameters     27
_refine_ls_number_restraints     0
_refine_ls_shift/su_max     0.01
_refine_ls_shift/su_mean     0.00
_computing_structure_refinement     GSAS
data_publication_Bismuthates
_publ_contact_author_name     'Christopher J. Howard'
_publ_contact_author_address
;Private Mail Bag 1
Menai
NSW 2234
Australia
;
_publ_contact_author_email     cjh@ansto.gov.au
_publ_contact_author_fax     '+61 2 9543 7179'
_publ_contact_author_phone     '+61 2 9717 3609'
_publ_section_title
;Structures and Phase Transitions in the Ordered Double Perovskites
Ba2BiIIIBiVO6 and Ba2BiIIISbVO6
;
loop_
    _publ_author_name
    _publ_author_address
    'Kennedy, Brendan J.'
;School of Chemistry,
University of Sydney,
Sydney,
NSW 2006
Australia
;
    'Howard, Christopher J.'
;Australian Nuclear Science and Technology Organisation
Private Mail Bag 1
Menai
NSW 2234
Australia
;
    'Knight, Kevin S.'
;ISIS Facility,
Rutherford Appleton Laboratory
Chilton,
Didcot,
Oxfordshire OX11 0QX
UK
;
    'Zhang, Zhaoming'
;Australian Nuclear Science and Technology Organisation
Private Mail Bag 1
Menai
NSW 2234
Australia
;
    'Zhou, Qingdi'
;School of Chemistry,
University of Sydney,
Sydney,
NSW 2006
Australia
;
data_BABIO3_4K_phase_1
_chemical_formula_sum     "Ba Bi O3"
_chemical_formula_weight     394.31
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     "P 21/n"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 -x+1/2,+y+1/2,-z+1/2
    -1 -x,-y,-z
    -2 +x+1/2,-y+1/2,+z+1/2
_cell_length_a     6.17410(7)
_cell_length_b     6.12484(7)
_cell_length_c     8.65220(9)
_cell_angle_alpha     90.0
_cell_angle_beta     90.2691(6)
_cell_angle_gamma     90.0
_cell_volume     327.182(9)
_cell_formula_units_Z     4
loop_
    _atom_type_symbol
    Ba
    Bi
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.5045(3)   -0.0130(4) 0.2493(3)   0.0037(3)   Uiso 1.0
    Bi Bi3 0.0 0.0 0.0 0.0049(4) Uiso 1.0
    Bi Bi5 0.0 0.0 0.5 0.0072(4) Uiso 1.0
    O O1 0.0689(2)   0.0068(4) 0.2613(2)   0.00984 Uani 1.0
    O O2 0.2465(3)   0.2735(4) -0.0365(3)   0.01261 Uani 1.0
    O O3 0.2778(3)   0.7584(4) -0.0371(3)   0.01176 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . 2_545 4.388(3)   N
    Ba Ba . 2_555 4.388(3)   N
    Ba Ba . 2_645 4.309(3)   N
    Ba Ba . 2_655 4.309(3)   N
    Ba Ba . -1_655 4.316(4) N
    Ba Ba . -1_656 4.343(4) N
    Ba Bi3 . 1_555 3.781(2)   N
    Ba Bi3 . 1_655 3.7523(19) N
    Ba Bi3 . 2_545 3.689(2)   N
    Ba Bi3 . 2_555 3.818(2)   N
    Ba Bi5 . 1_555 3.8049(19) N
    Ba Bi5 . 1_655 3.743(2)   N
    Ba Bi5 . 2_545 3.681(2)   N
    Ba Bi5 . 2_555 3.811(2)   N
    Ba O1 . 1_555 2.694(2)   N
    Ba O1 . 1_655 3.488(2)   N
    Ba O1 . 2_545 2.977(3)   N
    Ba O1 . 2_555 3.217(3)   N
    Ba O2 . 1_555 3.420(3)   N
    Ba O2 . 2_545 3.213(3)   N
    Ba O2 . -1_655 2.886(4)   N
    Ba O2 . -2_555 2.791(3)   N
    Ba O3 . 1_545 3.166(3)   N
    Ba O3 . 2_545 3.470(3)   N
    Ba O3 . -1_665 2.762(3)   N
    Ba O3 . -2_555 2.915(3)   N
    Bi3 Ba . 1_455 3.7523(19) N
    Bi3 Ba . 1_555 3.781(2)   N
    Bi3 Ba . 2_545 3.818(2)   N
    Bi3 Ba . 2_555 3.689(2)   N
    Bi3 Ba . -1_555 3.781(2)   N
    Bi3 Ba . -1_655 3.7523(19) N
    Bi3 Ba . -2_444 3.689(2)   N
    Bi3 Ba . -2_454 3.818(2)   N
    Bi3 O1 . 1_555 2.2989(17) N
    Bi3 O1 . -1_555 2.2989(17) N
    Bi3 O2 . 1_555 2.286(2)   N
    Bi3 O2 . -1_555 2.286(2)   N
    Bi3 O3 . 1_545 2.2887(19) N
    Bi3 O3 . -1_565 2.2887(19) N
    Bi5 Ba . 1_455 3.743(2)   N
    Bi5 Ba . 1_555 3.8049(19) N
    Bi5 Ba . 2_545 3.811(2)   N
    Bi5 Ba . 2_555 3.681(2)   N
    Bi5 Ba . -1_556 3.8049(19) N
    Bi5 Ba . -1_656 3.743(2)   N
    Bi5 Ba . -2_445 3.681(2)   N
    Bi5 Ba . -2_455 3.811(2)   N
    Bi5 O1 . 1_555 2.1111(17) N
    Bi5 O1 . -1_556 2.1111(17) N
    Bi5 O2 . 2_545 2.114(2)   N
    Bi5 O2 . -2_455 2.114(2)   N
    Bi5 O3 . 2_545 2.118(2)   N
    Bi5 O3 . -2_455 2.118(2)   N
    O1 Ba . 1_455 3.488(2)   N
    O1 Ba . 1_555 2.694(2)   N
    O1 Ba . 2_545 3.217(3)   N
    O1 Ba . 2_555 2.977(3)   N
    O1 Bi3 . 1_555 2.2989(17) N
    O1 Bi5 . 1_555 2.1111(17) N
    O2 Ba . 1_555 3.420(3)   N
    O2 Ba . 2_555 3.213(3)   N
    O2 Ba . -1_655 2.886(4)   N
    O2 Ba . -2_454 2.791(3)   N
    O2 Bi3 . 1_555 2.286(2)   N
    O2 Bi5 . 2_555 2.114(2)   N
    O3 Ba . 1_565 3.166(3)   N
    O3 Ba . 2_555 3.470(3)   N
    O3 Ba . -1_665 2.762(3)   N
    O3 Ba . -2_454 2.915(3)   N
    O3 Bi3 . 1_565 2.2887(19) N
    O3 Bi5 . 2_555 2.118(2)   N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba 2_545 . 2_555 88.53(6) N
    Ba Ba Ba 2_545 . 2_645 90.4491(15) N
    Ba Ba Ba 2_545 . 2_655 178.92(7) N
    Ba Ba Ba 2_545 . -1_655 91.31(8) N
    Ba Ba Ba 2_545 . -1_656 90.58(8) N
    Ba Ba Bi3 2_545 . 1_555 55.13(5) N
    Ba Ba Bi3 2_545 . 1_655 127.04(6) N
    Ba Ba Bi3 2_545 . 2_545 55.01(3)   N
    Ba Ba Bi3 2_545 . 2_555 124.44(7) N
    Ba Ba Bi5 2_545 . 1_555 54.88(5) N
    Ba Ba Bi5 2_545 . 1_655 126.62(7) N
    Ba Ba Bi5 2_545 . 2_545 55.44(3)   N
    Ba Ba Bi5 2_545 . 2_555 125.02(7) N
    Ba Ba O1 2_545 . 1_555 46.87(7) N
    Ba Ba O1 2_545 . 2_545 37.03(3)   N
    Ba Ba O2 2_545 . -1_655 89.98(6) N
    Ba Ba O2 2_545 . -2_666 138.22(11) N
    Ba Ba O3 2_545 . -1_665 138.30(11) N
    Ba Ba O3 2_545 . -2_666 92.90(6) N
    Ba Ba Ba 2_555 . 2_645 178.92(7) N
    Ba Ba Ba 2_555 . 2_655 90.4491(15) N
    Ba Ba Ba 2_555 . -1_655 88.37(8) N
    Ba Ba Ba 2_555 . -1_656 87.65(8) N
    Ba Ba Bi3 2_555 . 1_555 53.06(5) N
    Ba Ba Bi3 2_555 . 1_655 124.95(6) N
    Ba Ba Bi3 2_555 . 2_545 123.74(7) N
    Ba Ba Bi3 2_555 . 2_555 54.33(3)   N
    Ba Ba Bi5 2_555 . 1_555 52.82(5) N
    Ba Ba Bi5 2_555 . 1_655 124.53(6) N
    Ba Ba Bi5 2_555 . 2_545 124.33(7) N
    Ba Ba Bi5 2_555 . 2_555 54.76(3)   N
    Ba Ba O1 2_555 . 1_555 41.72(6) N
    Ba Ba O1 2_555 . 2_545 125.50(7) N
    Ba Ba O2 2_555 . -1_655 140.51(11) N
    Ba Ba O2 2_555 . -2_666 90.71(7) N
    Ba Ba O3 2_555 . -1_665 87.65(6) N
    Ba Ba O3 2_555 . -2_666 140.41(10) N
    Ba Ba Ba 2_645 . 2_655 90.57(7) N
    Ba Ba Ba 2_645 . -1_655 92.00(8) N
    Ba Ba Ba 2_645 . -1_656 92.02(8) N
    Ba Ba Bi3 2_645 . 1_555 126.47(7) N
    Ba Ba Bi3 2_645 . 1_655 56.03(5) N
    Ba Ba Bi3 2_645 . 2_545 55.30(3)   N
    Ba Ba Bi3 2_645 . 2_555 126.15(8) N
    Ba Ba Bi5 2_645 . 1_555 126.22(6) N
    Ba Ba Bi5 2_645 . 1_655 55.96(5) N
    Ba Ba Bi5 2_645 . 2_545 55.19(3)   N
    Ba Ba Bi5 2_645 . 2_555 126.21(7) N
    Ba Ba O1 2_645 . 1_555 137.24(7) N
    Ba Ba O1 2_645 . 2_545 53.49(3)   N
    Ba Ba O2 2_645 . -1_655 39.81(6) N
    Ba Ba O2 2_645 . -2_666 89.82(9) N
    Ba Ba O3 2_645 . -1_665 93.35(8) N
    Ba Ba O3 2_645 . -2_666 39.31(6) N
    Ba Ba Ba 2_655 . -1_655 89.00(8) N
    Ba Ba Ba 2_655 . -1_656 89.04(8) N
    Ba Ba Bi3 2_655 . 1_555 124.37(6) N
    Ba Ba Bi3 2_655 . 1_655 53.92(5) N
    Ba Ba Bi3 2_655 . 2_545 125.46(8) N
    Ba Ba Bi3 2_655 . 2_555 54.59(3)   N
    Ba Ba Bi5 2_655 . 1_555 124.14(6) N
    Ba Ba Bi5 2_655 . 1_655 53.85(5) N
    Ba Ba Bi5 2_655 . 2_545 125.52(7) N
    Ba Ba Bi5 2_655 . 2_555 54.48(3)   N
    Ba Ba O1 2_655 . 1_555 132.08(7) N
    Ba Ba O1 2_655 . 2_545 144.01(7) N
    Ba Ba O2 2_655 . -1_655 91.03(8) N
    Ba Ba O2 2_655 . -2_666 41.44(6) N
    Ba Ba O3 2_655 . -1_665 41.95(6) N
    Ba Ba O3 2_655 . -2_666 87.68(9) N
    Ba Ba Ba -1_655 . -1_656 175.55(12) N
    Ba Ba Bi3 -1_655 . 1_555 54.73(4) N
    Ba Ba Bi3 -1_655 . 1_655 55.35(4) N
    Ba Ba Bi3 -1_655 . 2_545 128.13(9) N
    Ba Ba Bi3 -1_655 . 2_555 122.51(8) N
    Ba Ba Bi5 -1_655 . 1_555 124.22(7) N
    Ba Ba Bi5 -1_655 . 1_655 125.80(7) N
    Ba Ba Bi5 -1_655 . 2_545 56.24(5) N
    Ba Ba Bi5 -1_655 . 2_555 53.43(5) N
    Ba Ba O1 -1_655 . 1_555 91.66(7) N
    Ba Ba O1 -1_655 . 2_545 90.26(9) N
    Ba Ba O2 -1_655 . -1_655 52.21(6) N
    Ba Ba O2 -1_655 . -2_666 130.43(10) N
    Ba Ba O3 -1_655 . -1_665 47.09(6) N
    Ba Ba O3 -1_655 . -2_666 131.10(9) N
    Ba Ba Bi3 -1_656 . 1_555 123.70(7) N
    Ba Ba Bi3 -1_656 . 1_655 125.99(7) N
    Ba Ba Bi3 -1_656 . 2_545 56.06(5) N
    Ba Ba Bi3 -1_656 . 2_555 53.27(5) N
    Ba Ba Bi5 -1_656 . 1_555 54.21(4) N
    Ba Ba Bi5 -1_656 . 1_655 55.55(4) N
    Ba Ba Bi5 -1_656 . 2_545 127.95(9) N
    Ba Ba Bi5 -1_656 . 2_555 122.36(8) N
    Ba Ba O1 -1_656 . 1_555 86.70(6) N
    Ba Ba O1 -1_656 . 2_545 93.67(9) N
    Ba Ba O2 -1_656 . -1_655 131.82(11) N
    Ba Ba O2 -1_656 . -2_666 47.67(7) N
    Ba Ba O3 -1_656 . -1_665 130.68(11) N
    Ba Ba O3 -1_656 . -2_666 52.78(6) N
    Bi3 Ba Bi3 1_555 . 1_655 110.09(6) N
    Bi3 Ba Bi3 1_555 . 2_545 110.12(5) N
    Bi3 Ba Bi3 1_555 . 2_555 107.38(5) N
    Bi3 Ba Bi5 1_555 . 1_555 69.54(3)   N
    Bi3 Ba Bi5 1_555 . 1_655 177.50(7) N
    Bi3 Ba Bi5 1_555 . 2_545 71.27(4) N
    Bi3 Ba Bi5 1_555 . 2_555 69.89(4) N
    Bi3 Ba O1 1_555 . 1_555 37.01(4) N
    Bi3 Ba O1 1_555 . 2_545 83.02(6) N
    Bi3 Ba O2 1_555 . -1_655 95.04(7) N
    Bi3 Ba O2 1_555 . -2_666 143.58(9) N
    Bi3 Ba O3 1_555 . -1_665 90.65(7) N
    Bi3 Ba O3 1_555 . -2_666 147.72(9) N
    Bi3 Ba Bi3 1_655 . 2_545 111.31(5) N
    Bi3 Ba Bi3 1_655 . 2_555 108.50(5) N
    Bi3 Ba Bi5 1_655 . 1_555 177.57(7) N
    Bi3 Ba Bi5 1_655 . 1_655 70.50(3)   N
    Bi3 Ba Bi5 1_655 . 2_545 71.60(4) N
    Bi3 Ba Bi5 1_655 . 2_555 70.19(4) N
    Bi3 Ba O1 1_655 . 1_555 146.92(8) N
    Bi3 Ba O1 1_655 . 2_545 97.34(6) N
    Bi3 Ba O2 1_655 . -1_655 37.50(4) N
    Bi3 Ba O2 1_655 . -2_666 86.28(6) N
    Bi3 Ba O3 1_655 . -1_665 37.38(4) N
    Bi3 Ba O3 1_655 . -2_666 84.51(6) N
    Bi3 Ba Bi3 2_545 . 2_555 109.34(6) N
    Bi3 Ba Bi5 2_545 . 1_555 70.92(4) N
    Bi3 Ba Bi5 2_545 . 1_655 71.61(4) N
    Bi3 Ba Bi5 2_545 . 2_545 71.89(4) N
    Bi3 Ba Bi5 2_545 . 2_555 178.22(6) N
    Bi3 Ba O1 2_545 . 1_555 90.20(6) N
    Bi3 Ba O1 2_545 . 2_545 38.51(5) N
    Bi3 Ba O2 2_545 . -1_655 86.18(8) N
    Bi3 Ba O2 2_545 . -2_666 92.28(8) N
    Bi3 Ba O3 2_545 . -1_665 148.45(7) N
    Bi3 Ba O3 2_545 . -2_666 38.35(5) N
    Bi3 Ba Bi5 2_555 . 1_555 69.56(4) N
    Bi3 Ba Bi5 2_555 . 1_655 70.20(4) N
    Bi3 Ba Bi5 2_555 . 2_545 178.51(7) N
    Bi3 Ba Bi5 2_555 . 2_555 69.09(4) N
    Bi3 Ba O1 2_555 . 1_555 86.05(6) N
    Bi3 Ba O1 2_555 . 2_545 145.97(9) N
    Bi3 Ba O2 2_555 . -1_655 145.37(7) N
    Bi3 Ba O2 2_555 . -2_666 36.46(5) N
    Bi3 Ba O3 2_555 . -1_665 85.30(7) N
    Bi3 Ba O3 2_555 . -2_666 94.00(8) N
    Bi5 Ba Bi5 1_555 . 1_655 109.76(6) N
    Bi5 Ba Bi5 1_555 . 2_545 110.31(5) N
    Bi5 Ba Bi5 1_555 . 2_555 107.56(5) N
    Bi5 Ba O1 1_555 . 1_555 32.56(4) N
    Bi5 Ba O1 1_555 . 2_545 85.02(6) N
    Bi5 Ba O2 1_555 . -1_655 144.62(8) N
    Bi5 Ba O2 1_555 . -2_666 92.72(7) N
    Bi5 Ba O3 1_555 . -1_665 140.30(8) N
    Bi5 Ba O3 1_555 . -2_666 97.01(7) N
    Bi5 Ba Bi5 1_655 . 2_545 111.14(5) N
    Bi5 Ba Bi5 1_655 . 2_555 108.32(5) N
    Bi5 Ba O1 1_655 . 1_555 142.17(7) N
    Bi5 Ba O1 1_655 . 2_545 99.36(7) N
    Bi5 Ba O2 1_655 . -1_655 86.84(6) N
    Bi5 Ba O2 1_655 . -2_666 33.96(5) N
    Bi5 Ba O3 1_655 . -1_665 88.51(6) N
    Bi5 Ba O3 1_655 . -2_666 34.33(5) N
    Bi5 Ba Bi5 2_545 . 2_555 109.67(6) N
    Bi5 Ba O1 2_545 . 1_555 93.12(6) N
    Bi5 Ba O1 2_545 . 2_545 34.99(4) N
    Bi5 Ba O2 2_545 . -1_655 34.98(5) N
    Bi5 Ba O2 2_545 . -2_666 144.81(8) N
    Bi5 Ba O3 2_545 . -1_665 94.04(8) N
    Bi5 Ba O3 2_545 . -2_666 87.49(7) N
    Bi5 Ba O1 2_555 . 1_555 88.87(6) N
    Bi5 Ba O1 2_555 . 2_545 142.79(9) N
    Bi5 Ba O2 2_555 . -1_655 95.60(7) N
    Bi5 Ba O2 2_555 . -2_666 86.85(8) N
    Bi5 Ba O3 2_555 . -1_665 32.96(5) N
    Bi5 Ba O3 2_555 . -2_666 141.89(8) N
    O1 Ba O1 1_555 . 2_545 83.90(7) N
    O1 Ba O2 1_555 . -1_655 125.77(9) N
    O1 Ba O2 1_555 . -2_666 118.81(9) N
    O1 Ba O3 1_555 . -1_665 119.30(8) N
    O1 Ba O3 1_555 . -2_666 125.00(8) N
    O1 Ba O2 2_545 . -1_655 61.02(7) N
    O1 Ba O2 2_545 . -2_666 128.33(11) N
    O1 Ba O3 2_545 . -1_665 127.71(10) N
    O1 Ba O3 2_545 . -2_666 66.26(7) N
    O2 Ba O2 -1_655 . -2_666 115.40(7) N
    O2 Ba O3 -1_655 . -1_665 68.02(8) N
    O2 Ba O3 -1_655 . -2_666 79.08(7) N
    O2 Ba O3 -2_666 . -1_665 83.34(7) N
    O2 Ba O3 -2_666 . -2_666 62.83(9) N
    O3 Ba O3 -1_665 . -2_666 115.49(7) N
    Ba Bi3 Ba 1_455 . 1_555 110.09(6) N
    Ba Bi3 Ba 1_455 . 2_545 69.39(4) N
    Ba Bi3 Ba 1_455 . 2_555 70.77(4) N
    Ba Bi3 Ba 1_455 . -1_555 69.91(6) N
    Ba Bi3 Ba 1_455 . -1_655 179.9802 N
    Ba Bi3 Ba 1_455 . -2_444 109.23(4) N
    Ba Bi3 Ba 1_455 . -2_454 110.61(4) N
    Ba Bi3 O1 1_455 . 1_555 65.35(5) N
    Ba Bi3 O1 1_455 . -1_555 114.65(5) N
    Ba Bi3 O2 1_455 . 1_555 129.79(7) N
    Ba Bi3 O2 1_455 . -1_555 50.21(7) N
    Ba Bi3 O3 1_455 . 1_545 132.88(7) N
    Ba Bi3 O3 1_455 . -1_565 47.12(7) N
    Ba Bi3 Ba 1_555 . 2_545 70.53(4) N
    Ba Bi3 Ba 1_555 . 2_555 71.93(4) N
    Ba Bi3 Ba 1_555 . -1_555 180.0 N
    Ba Bi3 Ba 1_555 . -1_655 69.91(6) N
    Ba Bi3 Ba 1_555 . -2_444 108.07(4) N
    Ba Bi3 Ba 1_555 . -2_454 109.47(4) N
    Ba Bi3 O1 1_555 . 1_555 44.86(4) N
    Ba Bi3 O1 1_555 . -1_555 135.14(4) N
    Ba Bi3 O2 1_555 . 1_555 63.08(6) N
    Ba Bi3 O2 1_555 . -1_555 116.92(6) N
    Ba Bi3 O3 1_555 . 1_545 56.68(7) N
    Ba Bi3 O3 1_555 . -1_565 123.32(7) N
    Ba Bi3 Ba 2_545 . 2_555 109.34(6) N
    Ba Bi3 Ba 2_545 . -1_555 109.47(4) N
    Ba Bi3 Ba 2_545 . -1_655 110.61(4) N
    Ba Bi3 Ba 2_545 . -2_444 70.66(6) N
    Ba Bi3 Ba 2_545 . -2_454 180.0 N
    Ba Bi3 O1 2_545 . 1_555 57.18(6) N
    Ba Bi3 O1 2_545 . -1_555 122.82(6) N
    Ba Bi3 O2 2_545 . 1_555 133.48(6) N
    Ba Bi3 O2 2_545 . -1_555 46.52(6) N
    Ba Bi3 O3 2_545 . 1_545 63.59(7) N
    Ba Bi3 O3 2_545 . -1_565 116.41(7) N
    Ba Bi3 Ba 2_555 . -1_555 108.07(4) N
    Ba Bi3 Ba 2_555 . -1_655 109.23(4) N
    Ba Bi3 Ba 2_555 . -2_444 180.0 N
    Ba Bi3 Ba 2_555 . -2_454 70.66(6) N
    Ba Bi3 O1 2_555 . 1_555 53.75(6) N
    Ba Bi3 O1 2_555 . -1_555 126.25(6) N
    Ba Bi3 O2 2_555 . 1_555 59.70(8) N
    Ba Bi3 O2 2_555 . -1_555 120.30(8) N
    Ba Bi3 O3 2_555 . 1_545 127.80(6) N
    Ba Bi3 O3 2_555 . -1_565 52.20(6) N
    Ba Bi3 Ba -1_555 . -1_655 110.09(6) N
    Ba Bi3 Ba -1_555 . -2_444 71.93(4) N
    Ba Bi3 Ba -1_555 . -2_454 70.53(4) N
    Ba Bi3 O1 -1_555 . 1_555 135.14(4) N
    Ba Bi3 O1 -1_555 . -1_555 44.86(4) N
    Ba Bi3 O2 -1_555 . 1_555 116.92(6) N
    Ba Bi3 O2 -1_555 . -1_555 63.08(6) N
    Ba Bi3 O3 -1_555 . 1_545 123.32(7) N
    Ba Bi3 O3 -1_555 . -1_565 56.68(7) N
    Ba Bi3 Ba -1_655 . -2_444 70.77(4) N
    Ba Bi3 Ba -1_655 . -2_454 69.39(4) N
    Ba Bi3 O1 -1_655 . 1_555 114.65(5) N
    Ba Bi3 O1 -1_655 . -1_555 65.35(5) N
    Ba Bi3 O2 -1_655 . 1_555 50.21(7) N
    Ba Bi3 O2 -1_655 . -1_555 129.79(7) N
    Ba Bi3 O3 -1_655 . 1_545 47.12(7) N
    Ba Bi3 O3 -1_655 . -1_565 132.88(7) N
    Ba Bi3 Ba -2_444 . -2_454 109.34(6) N
    Ba Bi3 O1 -2_555 . 1_555 126.25(6) N
    Ba Bi3 O1 -2_555 . -1_555 53.75(6) N
    Ba Bi3 O2 -2_555 . 1_555 120.30(8) N
    Ba Bi3 O2 -2_555 . -1_555 59.70(8) N
    Ba Bi3 O3 -2_555 . 1_545 52.20(6) N
    Ba Bi3 O3 -2_555 . -1_565 127.80(6) N
    Ba Bi3 O1 -2_565 . 1_555 122.82(6) N
    Ba Bi3 O1 -2_565 . -1_555 57.18(6) N
    Ba Bi3 O2 -2_565 . 1_555 46.52(6) N
    Ba Bi3 O2 -2_565 . -1_555 133.48(6) N
    Ba Bi3 O3 -2_565 . 1_545 116.41(7) N
    Ba Bi3 O3 -2_565 . -1_565 63.59(7) N
    O1 Bi3 O1 1_555 . -1_555 179.972 N
    O1 Bi3 O2 1_555 . 1_555 90.13(8) N
    O1 Bi3 O2 1_555 . -1_555 89.87(8) N
    O1 Bi3 O3 1_555 . 1_545 90.82(8) N
    O1 Bi3 O3 1_555 . -1_565 89.18(8) N
    O1 Bi3 O2 -1_555 . 1_555 89.87(8) N
    O1 Bi3 O2 -1_555 . -1_555 90.13(8) N
    O1 Bi3 O3 -1_555 . 1_545 89.18(8) N
    O1 Bi3 O3 -1_555 . -1_565 90.82(8) N
    O2 Bi3 O2 1_555 . -1_555 180.0 N
    O2 Bi3 O3 1_555 . 1_545 87.41(9) N
    O2 Bi3 O3 1_555 . -1_565 92.59(9) N
    O2 Bi3 O3 -1_555 . 1_545 92.59(9) N
    O2 Bi3 O3 -1_555 . -1_565 87.41(9) N
    O3 Bi3 O3 1_545 . -1_565 180.0 N
    Ba Bi5 Ba 1_455 . 1_555 109.76(6) N
    Ba Bi5 Ba 1_455 . 2_545 69.56(4) N
    Ba Bi5 Ba 1_455 . 2_555 70.96(4) N
    Ba Bi5 Ba 1_455 . -1_556 70.24(6) N
    Ba Bi5 Ba 1_455 . -1_656 180.0 N
    Ba Bi5 Ba 1_455 . -2_445 109.04(4) N
    Ba Bi5 Ba 1_455 . -2_455 110.44(4) N
    Ba Bi5 O1 1_455 . 1_555 66.51(5) N
    Ba Bi5 O1 1_455 . -1_556 113.49(5) N
    Ba Bi5 O2 1_455 . 2_545 132.48(8) N
    Ba Bi5 O2 1_455 . -2_566 47.52(8) N
    Ba Bi5 O3 1_455 . 2_545 129.11(7) N
    Ba Bi5 O3 1_455 . -2_566 50.89(7) N
    Ba Bi5 Ba 1_555 . 2_545 70.36(4) N
    Ba Bi5 Ba 1_555 . 2_555 71.74(4) N
    Ba Bi5 Ba 1_555 . -1_556 179.9802 N
    Ba Bi5 Ba 1_555 . -1_656 70.24(6) N
    Ba Bi5 Ba 1_555 . -2_445 108.26(4) N
    Ba Bi5 Ba 1_555 . -2_455 109.64(4) N
    Ba Bi5 O1 1_555 . 1_555 43.38(5) N
    Ba Bi5 O1 1_555 . -1_556 136.62(5) N
    Ba Bi5 O2 1_555 . 2_545 57.59(7) N
    Ba Bi5 O2 1_555 . -2_566 122.41(7) N
    Ba Bi5 O3 1_555 . 2_545 64.57(6) N
    Ba Bi5 O3 1_555 . -2_566 115.43(6) N
    Ba Bi5 Ba 2_545 . 2_555 109.67(6) N
    Ba Bi5 Ba 2_545 . -1_556 109.64(4) N
    Ba Bi5 Ba 2_545 . -1_656 110.44(4) N
    Ba Bi5 Ba 2_545 . -2_445 70.33(6) N
    Ba Bi5 Ba 2_545 . -2_455 180.0 N
    Ba Bi5 O1 2_545 . 1_555 57.56(6) N
    Ba Bi5 O1 2_545 . -1_556 122.44(6) N
    Ba Bi5 O2 2_545 . 2_545 63.07(7) N
    Ba Bi5 O2 2_545 . -2_566 116.93(7) N
    Ba Bi5 O3 2_545 . 2_545 134.81(7) N
    Ba Bi5 O3 2_545 . -2_566 45.19(7) N
    Ba Bi5 Ba 2_555 . -1_556 108.26(4) N
    Ba Bi5 Ba 2_555 . -1_656 109.04(4) N
    Ba Bi5 Ba 2_555 . -2_445 180.0 N
    Ba Bi5 Ba 2_555 . -2_455 70.33(6) N
    Ba Bi5 O1 2_555 . 1_555 53.97(6) N
    Ba Bi5 O1 2_555 . -1_556 126.03(6) N
    Ba Bi5 O2 2_555 . 2_545 128.52(8) N
    Ba Bi5 O2 2_555 . -2_566 51.48(8) N
    Ba Bi5 O3 2_555 . 2_545 59.09(7) N
    Ba Bi5 O3 2_555 . -2_566 120.91(7) N
    Ba Bi5 Ba -1_556 . -1_656 109.76(6) N
    Ba Bi5 Ba -1_556 . -2_445 71.74(4) N
    Ba Bi5 Ba -1_556 . -2_455 70.36(4) N
    Ba Bi5 O1 -1_556 . 1_555 136.62(5) N
    Ba Bi5 O1 -1_556 . -1_556 43.38(5) N
    Ba Bi5 O2 -1_556 . 2_545 122.41(7) N
    Ba Bi5 O2 -1_556 . -2_566 57.59(7) N
    Ba Bi5 O3 -1_556 . 2_545 115.43(6) N
    Ba Bi5 O3 -1_556 . -2_566 64.57(6) N
    Ba Bi5 Ba -1_656 . -2_445 70.96(4) N
    Ba Bi5 Ba -1_656 . -2_455 69.56(4) N
    Ba Bi5 O1 -1_656 . 1_555 113.49(5) N
    Ba Bi5 O1 -1_656 . -1_556 66.51(5) N
    Ba Bi5 O2 -1_656 . 2_545 47.52(8) N
    Ba Bi5 O2 -1_656 . -2_566 132.48(8) N
    Ba Bi5 O3 -1_656 . 2_545 50.89(7) N
    Ba Bi5 O3 -1_656 . -2_566 129.11(7) N
    Ba Bi5 Ba -2_445 . -2_455 109.67(6) N
    Ba Bi5 O1 -2_556 . 1_555 126.03(6) N
    Ba Bi5 O1 -2_556 . -1_556 53.97(6) N
    Ba Bi5 O2 -2_556 . 2_545 51.48(8) N
    Ba Bi5 O2 -2_556 . -2_566 128.52(8) N
    Ba Bi5 O3 -2_556 . 2_545 120.91(7) N
    Ba Bi5 O3 -2_556 . -2_566 59.09(7) N
    Ba Bi5 O1 -2_566 . 1_555 122.44(6) N
    Ba Bi5 O1 -2_566 . -1_556 57.56(6) N
    Ba Bi5 O2 -2_566 . 2_545 116.93(7) N
    Ba Bi5 O2 -2_566 . -2_566 63.07(7) N
    Ba Bi5 O3 -2_566 . 2_545 45.19(7) N
    Ba Bi5 O3 -2_566 . -2_566 134.81(7) N
    O1 Bi5 O1 1_555 . -1_556 180.0 N
    O1 Bi5 O2 1_555 . 2_545 90.38(9) N
    O1 Bi5 O2 1_555 . -2_566 89.62(9) N
    O1 Bi5 O3 1_555 . 2_545 90.00(8) N
    O1 Bi5 O3 1_555 . -2_566 90.00(8) N
    O1 Bi5 O2 -1_556 . 2_545 89.62(9) N
    O1 Bi5 O2 -1_556 . -2_566 90.38(9) N
    O1 Bi5 O3 -1_556 . 2_545 90.00(8) N
    O1 Bi5 O3 -1_556 . -2_566 90.00(8) N
    O2 Bi5 O2 2_545 . -2_566 179.9657 N
    O2 Bi5 O3 2_545 . 2_545 89.37(10) N
    O2 Bi5 O3 2_545 . -2_566 90.63(10) N
    O2 Bi5 O3 -2_566 . 2_545 90.63(10) N
    O2 Bi5 O3 -2_566 . -2_566 89.37(10) N
    O3 Bi5 O3 2_545 . -2_566 180.0 N
    Ba O1 Ba 1_555 . 2_555 101.25(8) N
    Ba O1 Bi3 1_555 . 1_555 98.13(6) N
    Ba O1 Bi5 1_555 . 1_555 104.05(7) N
    Ba O1 Bi3 2_555 . 1_555 87.73(8) N
    Ba O1 Bi5 2_555 . 1_555 91.04(8) N
    Bi3 O1 Bi5 1_555 . 1_555 157.59(7) N
    Ba O2 Ba -1_655 . -2_454 98.76(8) N
    Ba O2 Bi3 -1_655 . 1_555 92.29(9) N
    Ba O2 Bi5 -1_655 . 2_555 93.54(8) N
    Ba O2 Bi3 -2_565 . 1_555 97.02(8) N
    Ba O2 Bi5 -2_565 . 2_555 98.53(10) N
    Bi3 O2 Bi5 1_555 . 2_555 162.36(13) N
    Ba O3 Ba -1_665 . -2_454 98.73(8) N
    Ba O3 Bi3 -1_665 . 1_565 95.50(8) N
    Ba O3 Bi5 -1_665 . 2_555 101.85(8) N
    Ba O3 Bi3 -2_565 . 1_565 89.46(7) N
    Ba O3 Bi5 -2_565 . 2_555 94.78(9) N
    Bi3 O3 Bi5 1_565 . 2_555 161.27(12) N
data_BABIO3_200K_phase_1
_chemical_formula_sum     "Ba Bi O3"
_chemical_formula_weight     394.31
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     "I 2/m"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 -x,+y,-z
    -1 -x,-y,-z
    -2 +x,-y,+z
    101 +x+1/2,+y+1/2,+z+1/2
    102 -x+1/2,+y+1/2,-z+1/2
    -101 -x+1/2,-y+1/2,-z+1/2
    -102 +x+1/2,-y+1/2,+z+1/2
_cell_length_a     6.18505(7)
_cell_length_b     6.13219(7)
_cell_length_c     8.65846(10)
_cell_angle_alpha     90.0
_cell_angle_beta     90.2288(6)
_cell_angle_gamma     90.0
_cell_volume     328.395(10)
_cell_formula_units_Z     4
loop_
    _atom_type_symbol
    Ba
    Bi
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.5034(3)   0.0 0.2490(3)   0.0099(3)   Uiso 1.0
    Bi Bi3 0.0 0.0 0.0 0.0083(4) Uiso 1.0
    Bi Bi5 0.0 0.0 0.5 0.0090(4) Uiso 1.0
    O O1 0.0664(2)   0.0 0.2611(2)   0.01812 Uani 1.0
    O O2 0.2623(2)   0.2580(3)   -0.03547(11) 0.02138 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . 2_655 4.312(5) N
    Ba Ba . 2_656 4.347(5) N
    Ba Ba . 102_545 4.385(3)   N
    Ba Ba . 102_555 4.385(3)   N
    Ba Ba . 102_645 4.325(3)   N
    Ba Ba . 102_655 4.325(3)   N
    Ba Bi3 . 1_555 3.780(2)   N
    Ba Bi3 . 1_655 3.760(2)   N
    Ba Bi3 . 101_545 3.7582(15) N
    Ba Bi3 . 101_555 3.7582(15) N
    Ba Bi5 . 1_555 3.804(2)   N
    Ba Bi5 . 1_655 3.755(2)   N
    Ba Bi5 . 101_544 3.7483(15) N
    Ba Bi5 . 101_554 3.7483(15) N
    Ba O1 . 1_555 2.705(2)   N
    Ba O1 . 1_655 3.483(2)   N
    Ba O1 . 102_545 3.0976(3)   N
    Ba O1 . 102_555 3.0976(3)   N
    Ba O2 . 1_555 3.281(2)   N
    Ba O2 . 2_655 2.836(3)   N
    Ba O2 . -1_655 2.836(3)   N
    Ba O2 . -2_555 3.281(2)   N
    Ba O2 . 101_545 2.868(2)   N
    Ba O2 . 102_545 3.330(3)   N
    Ba O2 . -101_444 3.330(3)   N
    Ba O2 . -102_444 2.868(2)   N
    Bi3 Ba . 1_455 3.760(2)   N
    Bi3 Ba . 1_555 3.780(2)   N
    Bi3 Ba . 2_555 3.780(2)   N
    Bi3 Ba . 2_655 3.760(2)   N
    Bi3 Ba . 101_444 3.7582(15) N
    Bi3 Ba . 101_454 3.7582(15) N
    Bi3 Ba . 102_545 3.7582(15) N
    Bi3 Ba . 102_555 3.7582(15) N
    Bi3 O1 . 1_555 2.296(2)   N
    Bi3 O1 . 2_555 2.296(2)   N
    Bi3 O2 . 1_555 2.2877(16) N
    Bi3 O2 . 2_555 2.2877(16) N
    Bi3 O2 . -1_555 2.2877(16) N
    Bi3 O2 . -2_555 2.2877(16) N
    Bi5 Ba . 1_455 3.755(2)   N
    Bi5 Ba . 1_555 3.804(2)   N
    Bi5 Ba . 2_556 3.804(2)   N
    Bi5 Ba . 2_656 3.755(2)   N
    Bi5 Ba . 101_445 3.7483(15) N
    Bi5 Ba . 101_455 3.7483(15) N
    Bi5 Ba . 102_545 3.7483(15) N
    Bi5 Ba . 102_555 3.7483(15) N
    Bi5 O1 . 1_555 2.110(2)   N
    Bi5 O1 . 2_556 2.110(2)   N
    Bi5 O2 . 101_445 2.1105(16) N
    Bi5 O2 . 102_545 2.1105(16) N
    Bi5 O2 . -101_444 2.1105(16) N
    Bi5 O2 . -102_344 2.1105(16) N
    O1 Ba . 1_455 3.483(2)   N
    O1 Ba . 1_555 2.705(2)   N
    O1 Ba . 102_545 3.0976(3)   N
    O1 Ba . 102_555 3.0976(3)   N
    O1 Bi3 . 1_555 2.296(2)   N
    O1 Bi5 . 1_555 2.110(2)   N
    O2 Ba . 1_555 3.281(2)   N
    O2 Ba . 2_655 2.836(3)   N
    O2 Ba . 101_454 2.868(2)   N
    O2 Ba . 102_555 3.330(3)   N
    O2 Bi3 . 1_555 2.2877(16) N
    O2 Bi5 . 101_554 2.1105(16) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba 2_655 . 2_656 178.88(10) N
    Ba Ba Ba 2_655 . 102_545 89.98(8) N
    Ba Ba Ba 2_655 . 102_555 89.98(8) N
    Ba Ba Ba 2_655 . 102_645 90.46(8) N
    Ba Ba Ba 2_655 . 102_655 90.46(8) N
    Ba Ba Bi3 2_655 . 1_555 54.89(5) N
    Ba Ba Bi3 2_655 . 1_655 55.34(5) N
    Ba Ba Bi3 2_655 . 101_545 125.32(3)   N
    Ba Ba Bi3 2_655 . 101_555 125.32(3)   N
    Ba Ba Bi5 2_655 . 1_555 124.50(7) N
    Ba Ba Bi5 2_655 . 1_655 125.69(7) N
    Ba Ba Bi5 2_655 . 101_544 54.88(3)   N
    Ba Ba Bi5 2_655 . 101_554 54.88(3)   N
    Ba Ba O1 2_655 . 1_555 91.88(8) N
    Ba Ba O1 2_655 . 102_545 88.33(7) N
    Ba Ba O1 2_655 . 102_555 88.33(7) N
    Ba Ba O2 2_655 . 2_655 49.54(5) N
    Ba Ba O2 2_655 . -1_655 49.54(5) N
    Ba Ba O2 2_655 . 101_545 130.84(6) N
    Ba Ba O2 2_655 . -102_555 130.84(6) N
    Ba Ba Ba 2_656 . 102_545 89.21(8) N
    Ba Ba Ba 2_656 . 102_555 89.21(8) N
    Ba Ba Ba 2_656 . 102_645 90.33(8) N
    Ba Ba Ba 2_656 . 102_655 90.33(8) N
    Ba Ba Bi3 2_656 . 1_555 123.99(7) N
    Ba Ba Bi3 2_656 . 1_655 125.78(7) N
    Ba Ba Bi3 2_656 . 101_545 54.67(3)   N
    Ba Ba Bi3 2_656 . 101_555 54.67(3)   N
    Ba Ba Bi5 2_656 . 1_555 54.38(5) N
    Ba Ba Bi5 2_656 . 1_655 55.43(5) N
    Ba Ba Bi5 2_656 . 101_544 125.11(3)   N
    Ba Ba Bi5 2_656 . 101_554 125.11(3)   N
    Ba Ba O1 2_656 . 1_555 86.99(7) N
    Ba Ba O1 2_656 . 102_545 91.51(7) N
    Ba Ba O1 2_656 . 102_555 91.51(7) N
    Ba Ba O2 2_656 . 2_655 131.22(7) N
    Ba Ba O2 2_656 . -1_655 131.22(7) N
    Ba Ba O2 2_656 . 101_545 49.99(6) N
    Ba Ba O2 2_656 . -102_555 49.99(6) N
    Ba Ba Ba 102_545 . 102_555 88.72(7) N
    Ba Ba Ba 102_545 . 102_645 90.4853(14) N
    Ba Ba Ba 102_545 . 102_655 179.09(9) N
    Ba Ba Bi3 102_545 . 1_555 54.19(5) N
    Ba Ba Bi3 102_545 . 1_655 126.01(7) N
    Ba Ba Bi3 102_545 . 101_545 54.67(3)   N
    Ba Ba Bi3 102_545 . 101_555 124.23(8) N
    Ba Ba Bi5 102_545 . 1_555 53.91(4) N
    Ba Ba Bi5 102_545 . 1_655 125.51(7) N
    Ba Ba Bi5 102_545 . 101_544 55.10(3)   N
    Ba Ba Bi5 102_545 . 101_554 124.87(8) N
    Ba Ba O1 102_545 . 1_555 44.40(3)   N
    Ba Ba O1 102_545 . 102_545 37.66(2)   N
    Ba Ba O1 102_545 . 102_555 126.34(7) N
    Ba Ba O2 102_545 . 2_655 139.44(12) N
    Ba Ba O2 102_545 . -1_655 88.83(5) N
    Ba Ba O2 102_545 . 101_545 91.89(5) N
    Ba Ba O2 102_545 . -102_555 139.16(11) N
    Ba Ba Ba 102_555 . 102_645 179.09(9) N
    Ba Ba Ba 102_555 . 102_655 90.4853(14) N
    Ba Ba Bi3 102_555 . 1_555 54.19(5) N
    Ba Ba Bi3 102_555 . 1_655 126.01(7) N
    Ba Ba Bi3 102_555 . 101_545 124.23(8) N
    Ba Ba Bi3 102_555 . 101_555 54.67(3)   N
    Ba Ba Bi5 102_555 . 1_555 53.91(4) N
    Ba Ba Bi5 102_555 . 1_655 125.51(7) N
    Ba Ba Bi5 102_555 . 101_544 124.87(8) N
    Ba Ba Bi5 102_555 . 101_554 55.10(3)   N
    Ba Ba O1 102_555 . 1_555 44.40(3)   N
    Ba Ba O1 102_555 . 102_545 126.34(7) N
    Ba Ba O1 102_555 . 102_555 37.66(2)   N
    Ba Ba O2 102_555 . 2_655 88.83(5) N
    Ba Ba O2 102_555 . -1_655 139.44(12) N
    Ba Ba O2 102_555 . 101_545 139.16(11) N
    Ba Ba O2 102_555 . -102_555 91.89(5) N
    Ba Ba Ba 102_645 . 102_655 90.30(7) N
    Ba Ba Bi3 102_645 . 1_555 125.56(7) N
    Ba Ba Bi3 102_645 . 1_655 54.87(5) N
    Ba Ba Bi3 102_645 . 101_545 54.90(3)   N
    Ba Ba Bi3 102_645 . 101_555 125.57(8) N
    Ba Ba Bi5 102_645 . 1_555 125.21(7) N
    Ba Ba Bi5 102_645 . 1_655 54.73(5) N
    Ba Ba Bi5 102_645 . 101_544 54.88(3)   N
    Ba Ba Bi5 102_645 . 101_554 125.77(8) N
    Ba Ba O1 102_645 . 1_555 134.79(4)   N
    Ba Ba O1 102_645 . 102_545 52.89(2)   N
    Ba Ba O1 102_645 . 102_555 143.15(7) N
    Ba Ba O2 102_645 . 2_655 92.06(7) N
    Ba Ba O2 102_645 . -1_655 40.96(4) N
    Ba Ba O2 102_645 . 101_545 40.42(4) N
    Ba Ba O2 102_645 . -102_555 88.42(8) N
    Ba Ba Bi3 102_655 . 1_555 125.56(7) N
    Ba Ba Bi3 102_655 . 1_655 54.87(5) N
    Ba Ba Bi3 102_655 . 101_545 125.57(8) N
    Ba Ba Bi3 102_655 . 101_555 54.90(3)   N
    Ba Ba Bi5 102_655 . 1_555 125.21(7) N
    Ba Ba Bi5 102_655 . 1_655 54.73(5) N
    Ba Ba Bi5 102_655 . 101_544 125.77(8) N
    Ba Ba Bi5 102_655 . 101_554 54.88(3)   N
    Ba Ba O1 102_655 . 1_555 134.79(4)   N
    Ba Ba O1 102_655 . 102_545 143.15(7) N
    Ba Ba O1 102_655 . 102_555 52.89(2)   N
    Ba Ba O2 102_655 . 2_655 40.96(4) N
    Ba Ba O2 102_655 . -1_655 92.06(7) N
    Ba Ba O2 102_655 . 101_545 88.42(8) N
    Ba Ba O2 102_655 . -102_555 40.42(4) N
    Bi3 Ba Bi3 1_555 . 1_655 110.23(7) N
    Bi3 Ba Bi3 1_555 . 101_545 108.86(3)   N
    Bi3 Ba Bi3 1_555 . 101_555 108.86(3)   N
    Bi3 Ba Bi5 1_555 . 1_555 69.61(3)   N
    Bi3 Ba Bi5 1_555 . 1_655 179.4175(7) N
    Bi3 Ba Bi5 1_555 . 101_544 70.68(4) N
    Bi3 Ba Bi5 1_555 . 101_554 70.68(4) N
    Bi3 Ba O1 1_555 . 1_555 36.99(5) N
    Bi3 Ba O1 1_555 . 102_545 82.49(5) N
    Bi3 Ba O1 1_555 . 102_555 82.49(5) N
    Bi3 Ba O2 1_555 . 2_655 92.86(6) N
    Bi3 Ba O2 1_555 . -1_655 92.86(6) N
    Bi3 Ba O2 1_555 . 101_545 145.85(5) N
    Bi3 Ba O2 1_555 . -102_555 145.85(5) N
    Bi3 Ba Bi3 1_655 . 101_545 109.76(3)   N
    Bi3 Ba Bi3 1_655 . 101_555 109.76(3)   N
    Bi3 Ba Bi5 1_655 . 1_555 179.8393(2)   N
    Bi3 Ba Bi5 1_655 . 1_655 70.35(3)   N
    Bi3 Ba Bi5 1_655 . 101_544 70.91(4) N
    Bi3 Ba Bi5 1_655 . 101_554 70.91(4) N
    Bi3 Ba O1 1_655 . 1_555 147.22(9) N
    Bi3 Ba O1 1_655 . 102_545 95.62(5) N
    Bi3 Ba O1 1_655 . 102_555 95.62(5) N
    Bi3 Ba O2 1_655 . 2_655 37.39(4) N
    Bi3 Ba O2 1_655 . -1_655 37.39(4) N
    Bi3 Ba O2 1_655 . 101_545 85.29(4) N
    Bi3 Ba O2 1_655 . -102_555 85.29(4) N
    Bi3 Ba Bi3 101_545 . 101_555 109.34(7) N
    Bi3 Ba Bi5 101_545 . 1_555 70.32(4) N
    Bi3 Ba Bi5 101_545 . 1_655 70.85(4) N
    Bi3 Ba Bi5 101_545 . 101_544 70.4414(9) N
    Bi3 Ba Bi5 101_545 . 101_554 179.3167(7) N
    Bi3 Ba O1 101_545 . 1_555 88.26(4) N
    Bi3 Ba O1 101_545 . 102_545 37.60(5) N
    Bi3 Ba O1 101_545 . 102_555 145.37(10) N
    Bi3 Ba O2 101_545 . 2_655 146.74(6) N
    Bi3 Ba O2 101_545 . -1_655 85.75(4) N
    Bi3 Ba O2 101_545 . 101_545 37.44(3)   N
    Bi3 Ba O2 101_545 . -102_555 92.89(8) N
    Bi3 Ba Bi5 101_555 . 1_555 70.32(4) N
    Bi3 Ba Bi5 101_555 . 1_655 70.85(4) N
    Bi3 Ba Bi5 101_555 . 101_544 179.3170(7) N
    Bi3 Ba Bi5 101_555 . 101_554 70.4414(9) N
    Bi3 Ba O1 101_555 . 1_555 88.26(4) N
    Bi3 Ba O1 101_555 . 102_545 145.37(10) N
    Bi3 Ba O1 101_555 . 102_555 37.60(5) N
    Bi3 Ba O2 101_555 . 2_655 85.75(4) N
    Bi3 Ba O2 101_555 . -1_655 146.74(6) N
    Bi3 Ba O2 101_555 . 101_545 92.89(8) N
    Bi3 Ba O2 101_555 . -102_555 37.44(3)   N
    Bi5 Ba Bi5 1_555 . 1_655 109.81(7) N
    Bi5 Ba Bi5 1_555 . 101_544 109.02(3)   N
    Bi5 Ba Bi5 1_555 . 101_554 109.02(3)   N
    Bi5 Ba O1 1_555 . 1_555 32.62(4) N
    Bi5 Ba O1 1_555 . 102_545 84.36(5) N
    Bi5 Ba O1 1_555 . 102_555 84.36(5) N
    Bi5 Ba O2 1_555 . 2_655 142.55(4) N
    Bi5 Ba O2 1_555 . -1_655 142.55(4) N
    Bi5 Ba O2 1_555 . 101_545 94.84(6) N
    Bi5 Ba O2 1_555 . -102_555 94.84(6) N
    Bi5 Ba Bi5 1_655 . 101_544 109.61(3)   N
    Bi5 Ba Bi5 1_655 . 101_554 109.61(3)   N
    Bi5 Ba O1 1_655 . 1_555 142.42(9) N
    Bi5 Ba O1 1_655 . 102_545 97.48(5) N
    Bi5 Ba O1 1_655 . 102_555 97.48(5) N
    Bi5 Ba O2 1_655 . 2_655 87.62(5) N
    Bi5 Ba O2 1_655 . -1_655 87.62(5) N
    Bi5 Ba O2 1_655 . 101_545 33.92(5) N
    Bi5 Ba O2 1_655 . -102_555 33.92(5) N
    Bi5 Ba Bi5 101_544 . 101_554 109.77(7) N
    Bi5 Ba O1 101_544 . 1_555 91.08(4) N
    Bi5 Ba O1 101_544 . 102_545 34.26(4) N
    Bi5 Ba O1 101_544 . 102_555 142.46(10) N
    Bi5 Ba O2 101_544 . 2_655 94.76(7) N
    Bi5 Ba O2 101_544 . -1_655 33.94(3)   N
    Bi5 Ba O2 101_544 . 101_545 87.30(3)   N
    Bi5 Ba O2 101_544 . -102_555 143.08(7) N
    Bi5 Ba O1 101_554 . 1_555 91.08(4) N
    Bi5 Ba O1 101_554 . 102_545 142.46(10) N
    Bi5 Ba O1 101_554 . 102_555 34.26(4) N
    Bi5 Ba O2 101_554 . 2_655 33.94(3)   N
    Bi5 Ba O2 101_554 . -1_655 94.76(7) N
    Bi5 Ba O2 101_554 . 101_545 143.08(7) N
    Bi5 Ba O2 101_554 . -102_555 87.30(3)   N
    O1 Ba O1 1_555 . 102_545 82.06(4) N
    O1 Ba O1 1_555 . 102_555 82.06(4) N
    O1 Ba O2 1_555 . 2_655 122.57(7) N
    O1 Ba O2 1_555 . -1_655 122.57(7) N
    O1 Ba O2 1_555 . 101_545 122.01(7) N
    O1 Ba O2 1_555 . -102_555 122.01(7) N
    O1 Ba O1 102_545 . 102_555 163.64(9) N
    O1 Ba O2 102_545 . 2_655 127.25(10) N
    O1 Ba O2 102_545 . -1_655 60.06(5) N
    O1 Ba O2 102_545 . 101_545 65.40(5) N
    O1 Ba O2 102_545 . -102_555 127.45(10) N
    O1 Ba O2 102_555 . 2_655 60.06(5) N
    O1 Ba O2 102_555 . -1_655 127.25(10) N
    O1 Ba O2 102_555 . 101_545 127.45(10) N
    O1 Ba O2 102_555 . -102_555 65.40(5) N
    O2 Ba O2 2_655 . -1_655 67.82(8) N
    O2 Ba O2 2_655 . 101_545 115.31(6) N
    O2 Ba O2 2_655 . -102_555 81.38(4) N
    O2 Ba O2 -1_655 . 101_545 81.38(4) N
    O2 Ba O2 -1_655 . -102_555 115.31(6) N
    O2 Ba O2 101_545 . -102_555 62.32(10) N
    Ba Bi3 Ba 1_455 . 1_555 110.23(7) N
    Ba Bi3 Ba 1_455 . 2_555 69.77(7) N
    Ba Bi3 Ba 1_455 . 2_655 179.9802 N
    Ba Bi3 Ba 1_455 . 101_444 109.76(3)   N
    Ba Bi3 Ba 1_455 . 101_454 109.76(3)   N
    Ba Bi3 Ba 1_455 . 102_545 70.24(3)   N
    Ba Bi3 Ba 1_455 . 102_555 70.24(3)   N
    Ba Bi3 O1 1_455 . 1_555 65.09(5) N
    Ba Bi3 O1 1_455 . 2_555 114.91(5) N
    Ba Bi3 O2 1_455 . 1_555 131.17(4) N
    Ba Bi3 O2 1_455 . 2_555 48.83(4) N
    Ba Bi3 O2 1_455 . -1_555 48.83(4) N
    Ba Bi3 O2 1_455 . -2_555 131.17(4) N
    Ba Bi3 Ba 1_555 . 2_555 179.9802 N
    Ba Bi3 Ba 1_555 . 2_655 69.77(7) N
    Ba Bi3 Ba 1_555 . 101_444 108.86(3)   N
    Ba Bi3 Ba 1_555 . 101_454 108.86(3)   N
    Ba Bi3 Ba 1_555 . 102_545 71.14(3)   N
    Ba Bi3 Ba 1_555 . 102_555 71.14(3)   N
    Ba Bi3 O1 1_555 . 1_555 45.14(5) N
    Ba Bi3 O1 1_555 . 2_555 134.86(5) N
    Ba Bi3 O2 1_555 . 1_555 59.58(4) N
    Ba Bi3 O2 1_555 . 2_555 120.42(4) N
    Ba Bi3 O2 1_555 . -1_555 120.42(4) N
    Ba Bi3 O2 1_555 . -2_555 59.58(4) N
    Ba Bi3 Ba 2_555 . 2_655 110.23(7) N
    Ba Bi3 Ba 2_555 . 101_444 71.14(3)   N
    Ba Bi3 Ba 2_555 . 101_454 71.14(3)   N
    Ba Bi3 Ba 2_555 . 102_545 108.86(3)   N
    Ba Bi3 Ba 2_555 . 102_555 108.86(3)   N
    Ba Bi3 O1 2_555 . 1_555 134.86(5) N
    Ba Bi3 O1 2_555 . 2_555 45.14(5) N
    Ba Bi3 O2 2_555 . 1_555 120.42(4) N
    Ba Bi3 O2 2_555 . 2_555 59.58(4) N
    Ba Bi3 O2 2_555 . -1_555 59.58(4) N
    Ba Bi3 O2 2_555 . -2_555 120.42(4) N
    Ba Bi3 Ba 2_655 . 101_444 70.24(3)   N
    Ba Bi3 Ba 2_655 . 101_454 70.24(3)   N
    Ba Bi3 Ba 2_655 . 102_545 109.76(3)   N
    Ba Bi3 Ba 2_655 . 102_555 109.76(3)   N
    Ba Bi3 O1 2_655 . 1_555 114.91(5) N
    Ba Bi3 O1 2_655 . 2_555 65.09(5) N
    Ba Bi3 O2 2_655 . 1_555 48.83(4) N
    Ba Bi3 O2 2_655 . 2_555 131.17(4) N
    Ba Bi3 O2 2_655 . -1_555 131.17(4) N
    Ba Bi3 O2 2_655 . -2_555 48.83(4) N
    Ba Bi3 Ba 101_444 . 101_454 109.34(7) N
    Ba Bi3 Ba 101_444 . 102_545 70.66(7) N
    Ba Bi3 Ba 101_444 . 102_555 179.9802 N
    Ba Bi3 O1 101_444 . 1_555 124.60(3)   N
    Ba Bi3 O1 101_444 . 2_555 55.40(3)   N
    Ba Bi3 O2 101_444 . 1_555 118.75(6) N
    Ba Bi3 O2 101_444 . 2_555 130.36(4) N
    Ba Bi3 O2 101_444 . -1_555 61.25(6) N
    Ba Bi3 O2 101_444 . -2_555 49.64(4) N
    Ba Bi3 Ba 101_454 . 102_545 179.972 N
    Ba Bi3 Ba 101_454 . 102_555 70.66(7) N
    Ba Bi3 O1 101_454 . 1_555 124.60(3)   N
    Ba Bi3 O1 101_454 . 2_555 55.40(3)   N
    Ba Bi3 O2 101_454 . 1_555 49.64(4) N
    Ba Bi3 O2 101_454 . 2_555 61.25(6) N
    Ba Bi3 O2 101_454 . -1_555 130.36(4) N
    Ba Bi3 O2 101_454 . -2_555 118.75(6) N
    Ba Bi3 Ba 102_545 . 102_555 109.34(7) N
    Ba Bi3 O1 102_545 . 1_555 55.40(3)   N
    Ba Bi3 O1 102_545 . 2_555 124.60(3)   N
    Ba Bi3 O2 102_545 . 1_555 130.36(4) N
    Ba Bi3 O2 102_545 . 2_555 118.75(6) N
    Ba Bi3 O2 102_545 . -1_555 49.64(4) N
    Ba Bi3 O2 102_545 . -2_555 61.25(6) N
    Ba Bi3 O1 102_555 . 1_555 55.40(3)   N
    Ba Bi3 O1 102_555 . 2_555 124.60(3)   N
    Ba Bi3 O2 102_555 . 1_555 61.25(6) N
    Ba Bi3 O2 102_555 . 2_555 49.64(4) N
    Ba Bi3 O2 102_555 . -1_555 118.75(6) N
    Ba Bi3 O2 102_555 . -2_555 130.36(4) N
    O1 Bi3 O1 1_555 . 2_555 179.972 N
    O1 Bi3 O2 1_555 . 1_555 90.46(4) N
    O1 Bi3 O2 1_555 . 2_555 89.54(4) N
    O1 Bi3 O2 1_555 . -1_555 89.54(4) N
    O1 Bi3 O2 1_555 . -2_555 90.46(4) N
    O1 Bi3 O2 2_555 . 1_555 89.54(4) N
    O1 Bi3 O2 2_555 . 2_555 90.46(4) N
    O1 Bi3 O2 2_555 . -1_555 90.46(4) N
    O1 Bi3 O2 2_555 . -2_555 89.54(4) N
    O2 Bi3 O2 1_555 . 2_555 92.48(9) N
    O2 Bi3 O2 1_555 . -1_555 180.0 N
    O2 Bi3 O2 1_555 . -2_555 87.52(9) N
    O2 Bi3 O2 2_555 . -1_555 87.52(9) N
    O2 Bi3 O2 2_555 . -2_555 180.0 N
    O2 Bi3 O2 -1_555 . -2_555 92.48(9) N
    Ba Bi5 Ba 1_455 . 1_555 109.81(7) N
    Ba Bi5 Ba 1_455 . 2_556 70.19(7) N
    Ba Bi5 Ba 1_455 . 2_656 180.0 N
    Ba Bi5 Ba 1_455 . 101_445 109.61(3)   N
    Ba Bi5 Ba 1_455 . 101_455 109.61(3)   N
    Ba Bi5 Ba 1_455 . 102_545 70.39(3)   N
    Ba Bi5 Ba 1_455 . 102_555 70.39(3)   N
    Ba Bi5 O1 1_455 . 1_555 66.10(5) N
    Ba Bi5 O1 1_455 . 2_556 113.90(5) N
    Ba Bi5 O2 1_455 . 101_445 49.32(4) N
    Ba Bi5 O2 1_455 . 102_545 130.68(4) N
    Ba Bi5 O2 1_455 . -101_555 130.68(4) N
    Ba Bi5 O2 1_455 . -102_455 49.32(4) N
    Ba Bi5 Ba 1_555 . 2_556 179.9604 N
    Ba Bi5 Ba 1_555 . 2_656 70.19(7) N
    Ba Bi5 Ba 1_555 . 101_445 109.02(3)   N
    Ba Bi5 Ba 1_555 . 101_455 109.02(3)   N
    Ba Bi5 Ba 1_555 . 102_545 70.99(3)   N
    Ba Bi5 Ba 1_555 . 102_555 70.99(3)   N
    Ba Bi5 O1 1_555 . 1_555 43.71(5) N
    Ba Bi5 O1 1_555 . 2_556 136.29(5) N
    Ba Bi5 O2 1_555 . 101_445 119.22(4) N
    Ba Bi5 O2 1_555 . 102_545 60.78(4) N
    Ba Bi5 O2 1_555 . -101_555 60.78(4) N
    Ba Bi5 O2 1_555 . -102_455 119.22(4) N
    Ba Bi5 Ba 2_556 . 2_656 109.81(7) N
    Ba Bi5 Ba 2_556 . 101_445 70.99(3)   N
    Ba Bi5 Ba 2_556 . 101_455 70.99(3)   N
    Ba Bi5 Ba 2_556 . 102_545 109.02(3)   N
    Ba Bi5 Ba 2_556 . 102_555 109.02(3)   N
    Ba Bi5 O1 2_556 . 1_555 136.29(5) N
    Ba Bi5 O1 2_556 . 2_556 43.71(5) N
    Ba Bi5 O2 2_556 . 101_445 60.78(4) N
    Ba Bi5 O2 2_556 . 102_545 119.22(4) N
    Ba Bi5 O2 2_556 . -101_555 119.22(4) N
    Ba Bi5 O2 2_556 . -102_455 60.78(4) N
    Ba Bi5 Ba 2_656 . 101_445 70.39(3)   N
    Ba Bi5 Ba 2_656 . 101_455 70.39(3)   N
    Ba Bi5 Ba 2_656 . 102_545 109.61(3)   N
    Ba Bi5 Ba 2_656 . 102_555 109.61(3)   N
    Ba Bi5 O1 2_656 . 1_555 113.90(5) N
    Ba Bi5 O1 2_656 . 2_556 66.10(5) N
    Ba Bi5 O2 2_656 . 101_445 130.68(4) N
    Ba Bi5 O2 2_656 . 102_545 49.32(4) N
    Ba Bi5 O2 2_656 . -101_555 49.32(4) N
    Ba Bi5 O2 2_656 . -102_455 130.68(4) N
    Ba Bi5 Ba 101_445 . 101_455 109.77(7) N
    Ba Bi5 Ba 101_445 . 102_545 70.23(7) N
    Ba Bi5 Ba 101_445 . 102_555 180.0 N
    Ba Bi5 O1 101_445 . 1_555 124.27(3)   N
    Ba Bi5 O1 101_445 . 2_556 55.73(3)   N
    Ba Bi5 O2 101_445 . 101_445 60.72(4) N
    Ba Bi5 O2 101_445 . 102_545 48.61(6) N
    Ba Bi5 O2 101_445 . -101_555 119.28(4) N
    Ba Bi5 O2 101_445 . -102_455 131.39(6) N
    Ba Bi5 Ba 101_455 . 102_545 180.0 N
    Ba Bi5 Ba 101_455 . 102_555 70.23(7) N
    Ba Bi5 O1 101_455 . 1_555 124.27(3)   N
    Ba Bi5 O1 101_455 . 2_556 55.73(3)   N
    Ba Bi5 O2 101_455 . 101_445 131.39(6) N
    Ba Bi5 O2 101_455 . 102_545 119.28(4) N
    Ba Bi5 O2 101_455 . -101_555 48.61(6) N
    Ba Bi5 O2 101_455 . -102_455 60.72(4) N
    Ba Bi5 Ba 102_545 . 102_555 109.77(7) N
    Ba Bi5 O1 102_545 . 1_555 55.73(3)   N
    Ba Bi5 O1 102_545 . 2_556 124.27(3)   N
    Ba Bi5 O2 102_545 . 101_445 48.61(6) N
    Ba Bi5 O2 102_545 . 102_545 60.72(4) N
    Ba Bi5 O2 102_545 . -101_555 131.39(6) N
    Ba Bi5 O2 102_545 . -102_455 119.28(4) N
    Ba Bi5 O1 102_555 . 1_555 55.73(3)   N
    Ba Bi5 O1 102_555 . 2_556 124.27(3)   N
    Ba Bi5 O2 102_555 . 101_445 119.28(4) N
    Ba Bi5 O2 102_555 . 102_545 131.39(6) N
    Ba Bi5 O2 102_555 . -101_555 60.72(4) N
    Ba Bi5 O2 102_555 . -102_455 48.61(6) N
    O1 Bi5 O1 1_555 . 2_556 179.9657 N
    O1 Bi5 O2 1_555 . 101_445 89.75(4) N
    O1 Bi5 O2 1_555 . 102_545 90.25(4) N
    O1 Bi5 O2 1_555 . -101_555 90.25(4) N
    O1 Bi5 O2 1_555 . -102_455 89.75(4) N
    O1 Bi5 O2 2_556 . 101_445 90.25(4) N
    O1 Bi5 O2 2_556 . 102_545 89.75(4) N
    O1 Bi5 O2 2_556 . -101_555 89.75(4) N
    O1 Bi5 O2 2_556 . -102_455 90.25(4) N
    O2 Bi5 O2 101_445 . 102_545 90.65(10) N
    O2 Bi5 O2 101_445 . -101_555 180.0 N
    O2 Bi5 O2 101_445 . -102_455 89.35(10) N
    O2 Bi5 O2 102_545 . -101_555 89.35(10) N
    O2 Bi5 O2 102_545 . -102_455 179.9802 N
    O2 Bi5 O2 -101_555 . -102_455 90.65(10) N
    Ba O1 Ba 1_555 . 102_545 97.94(4) N
    Ba O1 Ba 1_555 . 102_555 97.94(4) N
    Ba O1 Bi3 1_555 . 1_555 97.86(7) N
    Ba O1 Bi5 1_555 . 1_555 103.68(7) N
    Ba O1 Ba 102_545 . 102_555 163.64(9) N
    Ba O1 Bi3 102_545 . 1_555 87.00(7) N
    Ba O1 Bi5 102_545 . 1_555 90.01(7) N
    Ba O1 Bi3 102_555 . 1_555 87.00(7) N
    Ba O1 Bi5 102_555 . 1_555 90.01(7) N
    Bi3 O1 Bi5 1_555 . 1_555 158.46(7) N
    Ba O2 Ba 2_655 . 101_454 98.62(4) N
    Ba O2 Bi3 2_655 . 1_555 93.79(6) N
    Ba O2 Bi5 2_655 . 101_554 97.45(6) N
    Ba O2 Bi3 101_454 . 1_555 92.92(5) N
    Ba O2 Bi5 101_454 . 101_554 96.76(8) N
    Bi3 O2 Bi5 1_555 . 101_554 163.89(5) N
data_BABIO3_498K_phase_1
_chemical_formula_sum     "Ba Bi O3"
_chemical_formula_weight     394.31
_symmetry_cell_setting     trigonal
_symmetry_space_group_name_H-M     "R -3"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 -y,x-y,+z
    3 y-x,-x,+z
    -1 -x,-y,-z
    -2 +y,y-x,-z
    -3 x-y,+x,-z
    101 +x+1/3,+y+2/3,+z+2/3
    102 -y+1/3,x-y+2/3,+z+2/3
    103 y-x+1/3,-x+2/3,+z+2/3
    -101 -x+2/3,-y+1/3,-z+1/3
    -102 +y+2/3,y-x+1/3,-z+1/3
    -103 x-y+2/3,+x+1/3,-z+1/3
    201 +x+2/3,+y+1/3,+z+1/3
    202 -y+2/3,x-y+1/3,+z+1/3
    203 y-x+2/3,-x+1/3,+z+1/3
    -201 -x+1/3,-y+2/3,-z+2/3
    -202 +y+1/3,y-x+2/3,-z+2/3
    -203 x-y+1/3,+x+2/3,-z+2/3
_cell_length_a     6.17944(13)
_cell_length_b     6.17944
_cell_length_c     15.0393(3)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     120.0
_cell_volume     497.34(3)
_cell_formula_units_Z     6
loop_
    _atom_type_symbol
    Ba
    Bi
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.0 0.0 0.2503(8) 0.0279(6) Uiso 1.0
    Bi Bi3 0.0 0.0 0.0 0.0215(4) Uiso 1.0
    Bi Bi5 0.0 0.0 0.5 0.0215(4) Uiso 1.0
    O O 0.5414(6) -0.0107(11) 0.2522(4) 0.04859 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . -101_334 4.355(13) N
    Ba Ba . -101_434 4.355(13) N
    Ba Ba . -101_444 4.355(13) N
    Ba Ba . -201_334 4.365(14) N
    Ba Ba . -201_344 4.365(14) N
    Ba Ba . -201_444 4.365(14) N
    Ba Bi3 . 1_555 3.764(12) N
    Ba Bi3 . 201_445 3.780(4) N
    Ba Bi3 . 201_455 3.780(4) N
    Ba Bi3 . 201_555 3.780(4) N
    Ba Bi5 . 1_555 3.755(12) N
    Ba Bi5 . 101_444 3.783(4) N
    Ba Bi5 . 101_544 3.783(4) N
    Ba Bi5 . 101_554 3.783(4) N
    Ba O . 1_455 2.8015(15) N
    Ba O . 1_555 3.3793(14) N
    Ba O . 2_545 2.8015(15) N
    Ba O . 2_555 3.3793(14) N
    Ba O . 3_555 3.3793(14) N
    Ba O . 3_665 2.8015(15) N
    Ba O . -101_434 3.027(9) N
    Ba O . -102_444 3.027(9) N
    Ba O . -103_334 3.027(9) N
    Ba O . -201_444 3.153(9) N
    Ba O . -202_344 3.153(9) N
    Ba O . -203_334 3.153(9) N
    Bi3 Ba . 1_555 3.764(12) N
    Bi3 Ba . -1_555 3.764(12) N
    Bi3 Ba . 101_444 3.780(4) N
    Bi3 Ba . 101_544 3.780(4) N
    Bi3 Ba . 101_554 3.780(4) N
    Bi3 Ba . -201_334 3.780(4) N
    Bi3 Ba . -201_344 3.780(4) N
    Bi3 Ba . -201_444 3.780(4) N
    Bi3 O . 101_444 2.228(6) N
    Bi3 O . 102_544 2.228(6) N
    Bi3 O . 103_554 2.228(6) N
    Bi3 O . -201_444 2.228(6) N
    Bi3 O . -202_344 2.228(6) N
    Bi3 O . -203_334 2.228(6) N
    Bi5 Ba . 1_555 3.755(12) N
    Bi5 Ba . -1_556 3.755(12) N
    Bi5 Ba . -101_334 3.783(4) N
    Bi5 Ba . -101_434 3.783(4) N
    Bi5 Ba . -101_444 3.783(4) N
    Bi5 Ba . 201_445 3.783(4) N
    Bi5 Ba . 201_455 3.783(4) N
    Bi5 Ba . 201_555 3.783(4) N
    Bi5 O . -101_434 2.172(6) N
    Bi5 O . -102_444 2.172(6) N
    Bi5 O . -103_334 2.172(6) N
    Bi5 O . 201_455 2.172(6) N
    Bi5 O . 202_445 2.172(6) N
    Bi5 O . 203_555 2.172(6) N
    O Ba . 1_555 3.3793(14) N
    O Ba . 1_655 2.8015(15) N
    O Ba . -101_434 3.027(9) N
    O Ba . -201_444 3.153(9) N
    O Bi3 . 201_555 2.228(6) N
    O Bi5 . 101_544 2.172(6) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba -101_334 . -101_434 90.4(4) N
    Ba Ba Ba -101_334 . -101_444 90.4(4) N
    Ba Ba Ba -101_334 . -201_334 89.7543(17) N
    Ba Ba Ba -101_334 . -201_344 89.7543(17) N
    Ba Ba Ba -101_334 . -201_444 179.8113(17) N
    Ba Ba Bi3 -101_334 . 1_555 125.0(3)   N
    Ba Ba Bi3 -101_334 . 201_445 54.82(8) N
    Ba Ba Bi3 -101_334 . 201_455 54.82(8) N
    Ba Ba Bi3 -101_334 . 201_555 125.7(4) N
    Ba Ba Bi5 -101_334 . 1_555 55.0(3)   N
    Ba Ba Bi5 -101_334 . 101_444 54.41(9) N
    Ba Ba Bi5 -101_334 . 101_544 125.24(8) N
    Ba Ba Bi5 -101_334 . 101_554 125.24(8) N
    Ba Ba O -101_334 . 1_455 43.66(12) N
    Ba Ba O -101_334 . 2_545 90.6(2)   N
    Ba Ba O -101_334 . 3_665 134.0(4) N
    Ba Ba O -101_334 . -101_434 39.71(16) N
    Ba Ba O -101_334 . -102_444 90.0(4) N
    Ba Ba O -101_334 . -103_334 50.7(2)   N
    Ba Ba Ba -101_434 . -101_444 90.4(4) N
    Ba Ba Ba -101_434 . -201_334 89.7543(17) N
    Ba Ba Ba -101_434 . -201_344 179.8102(17) N
    Ba Ba Ba -101_434 . -201_444 89.7543(17) N
    Ba Ba Bi3 -101_434 . 1_555 125.0(3)   N
    Ba Ba Bi3 -101_434 . 201_445 54.82(8) N
    Ba Ba Bi3 -101_434 . 201_455 125.7(4) N
    Ba Ba Bi3 -101_434 . 201_555 54.82(8) N
    Ba Ba Bi5 -101_434 . 1_555 55.0(3)   N
    Ba Ba Bi5 -101_434 . 101_444 125.24(8) N
    Ba Ba Bi5 -101_434 . 101_544 54.41(9) N
    Ba Ba Bi5 -101_434 . 101_554 125.24(8) N
    Ba Ba O -101_434 . 1_455 134.0(4) N
    Ba Ba O -101_434 . 2_545 43.66(12) N
    Ba Ba O -101_434 . 3_665 90.6(2)   N
    Ba Ba O -101_434 . -101_434 50.7(2)   N
    Ba Ba O -101_434 . -102_444 39.71(16) N
    Ba Ba O -101_434 . -103_334 90.0(4) N
    Ba Ba Ba -101_444 . -201_334 179.8092(17) N
    Ba Ba Ba -101_444 . -201_344 89.7543(17) N
    Ba Ba Ba -101_444 . -201_444 89.7543(17) N
    Ba Ba Bi3 -101_444 . 1_555 125.0(3)   N
    Ba Ba Bi3 -101_444 . 201_445 125.7(4) N
    Ba Ba Bi3 -101_444 . 201_455 54.82(8) N
    Ba Ba Bi3 -101_444 . 201_555 54.82(8) N
    Ba Ba Bi5 -101_444 . 1_555 55.0(3)   N
    Ba Ba Bi5 -101_444 . 101_444 125.24(8) N
    Ba Ba Bi5 -101_444 . 101_544 125.24(8) N
    Ba Ba Bi5 -101_444 . 101_554 54.41(9) N
    Ba Ba O -101_444 . 1_455 90.6(2)   N
    Ba Ba O -101_444 . 2_545 134.0(4) N
    Ba Ba O -101_444 . 3_665 43.66(12) N
    Ba Ba O -101_444 . -101_434 90.0(4) N
    Ba Ba O -101_444 . -102_444 50.7(2)   N
    Ba Ba O -101_444 . -103_334 39.71(16) N
    Ba Ba Ba -201_334 . -201_344 90.1(4) N
    Ba Ba Ba -201_334 . -201_444 90.1(4) N
    Ba Ba Bi3 -201_334 . 1_555 54.8(3)   N
    Ba Ba Bi3 -201_334 . 201_445 54.48(8) N
    Ba Ba Bi3 -201_334 . 201_455 125.18(8) N
    Ba Ba Bi3 -201_334 . 201_555 125.18(8) N
    Ba Ba Bi5 -201_334 . 1_555 125.2(3)   N
    Ba Ba Bi5 -201_334 . 101_444 54.76(8) N
    Ba Ba Bi5 -201_334 . 101_544 54.76(8) N
    Ba Ba Bi5 -201_334 . 101_554 125.4(4) N
    Ba Ba O -201_334 . 1_455 89.4(2)   N
    Ba Ba O -201_334 . 2_545 46.10(12) N
    Ba Ba O -201_334 . 3_665 136.2(4) N
    Ba Ba O -201_334 . -101_434 90.2(2)   N
    Ba Ba O -201_334 . -102_444 129.47(16) N
    Ba Ba O -201_334 . -103_334 140.4(2)   N
    Ba Ba Ba -201_344 . -201_444 90.1(4) N
    Ba Ba Bi3 -201_344 . 1_555 54.8(3)   N
    Ba Ba Bi3 -201_344 . 201_445 125.18(8) N
    Ba Ba Bi3 -201_344 . 201_455 54.48(8) N
    Ba Ba Bi3 -201_344 . 201_555 125.18(8) N
    Ba Ba Bi5 -201_344 . 1_555 125.2(3)   N
    Ba Ba Bi5 -201_344 . 101_444 54.76(8) N
    Ba Ba Bi5 -201_344 . 101_544 125.4(4) N
    Ba Ba Bi5 -201_344 . 101_554 54.76(8) N
    Ba Ba O -201_344 . 1_455 46.10(12) N
    Ba Ba O -201_344 . 2_545 136.2(4) N
    Ba Ba O -201_344 . 3_665 89.4(2)   N
    Ba Ba O -201_344 . -101_434 129.47(16) N
    Ba Ba O -201_344 . -102_444 140.4(2)   N
    Ba Ba O -201_344 . -103_334 90.2(2)   N
    Ba Ba Bi3 -201_444 . 1_555 54.8(3)   N
    Ba Ba Bi3 -201_444 . 201_445 125.18(8) N
    Ba Ba Bi3 -201_444 . 201_455 125.18(8) N
    Ba Ba Bi3 -201_444 . 201_555 54.48(8) N
    Ba Ba Bi5 -201_444 . 1_555 125.2(3)   N
    Ba Ba Bi5 -201_444 . 101_444 125.4(4) N
    Ba Ba Bi5 -201_444 . 101_544 54.76(8) N
    Ba Ba Bi5 -201_444 . 101_554 54.76(8) N
    Ba Ba O -201_444 . 1_455 136.2(4) N
    Ba Ba O -201_444 . 2_545 89.4(2)   N
    Ba Ba O -201_444 . 3_665 46.10(12) N
    Ba Ba O -201_444 . -101_434 140.4(2)   N
    Ba Ba O -201_444 . -102_444 90.2(2)   N
    Ba Ba O -201_444 . -103_334 129.47(16) N
    Bi3 Ba Bi3 1_555 . 201_445 109.29(17) N
    Bi3 Ba Bi3 1_555 . 201_455 109.29(17) N
    Bi3 Ba Bi3 1_555 . 201_555 109.29(17) N
    Bi3 Ba Bi5 1_555 . 1_555 180.0 N
    Bi3 Ba Bi5 1_555 . 101_444 70.58(17) N
    Bi3 Ba Bi5 1_555 . 101_544 70.58(17) N
    Bi3 Ba Bi5 1_555 . 101_554 70.58(17) N
    Bi3 Ba O 1_555 . 1_455 90.6(3)   N
    Bi3 Ba O 1_555 . 2_545 90.6(3)   N
    Bi3 Ba O 1_555 . 3_665 90.6(3)   N
    Bi3 Ba O 1_555 . -101_434 144.66(14) N
    Bi3 Ba O 1_555 . -102_444 144.66(14) N
    Bi3 Ba O 1_555 . -103_334 144.66(14) N
    Bi3 Ba Bi3 201_445 . 201_455 109.65(17) N
    Bi3 Ba Bi3 201_445 . 201_555 109.65(17) N
    Bi3 Ba Bi5 201_445 . 1_555 70.71(17) N
    Bi3 Ba Bi5 201_445 . 101_444 70.4133(6) N
    Bi3 Ba Bi5 201_445 . 101_544 70.4133(6) N
    Bi3 Ba Bi5 201_445 . 101_554 179.8764(7) N
    Bi3 Ba O 201_445 . 1_455 88.71(15) N
    Bi3 Ba O 201_445 . 2_545 35.81(16) N
    Bi3 Ba O 201_445 . 3_665 145.4(3)   N
    Bi3 Ba O 201_445 . -101_434 36.10(14) N
    Bi3 Ba O 201_445 . -102_444 85.51(18) N
    Bi3 Ba O 201_445 . -103_334 94.5(2)   N
    Bi3 Ba Bi3 201_455 . 201_555 109.65(17) N
    Bi3 Ba Bi5 201_455 . 1_555 70.71(17) N
    Bi3 Ba Bi5 201_455 . 101_444 70.4133(6) N
    Bi3 Ba Bi5 201_455 . 101_544 179.8718(7) N
    Bi3 Ba Bi5 201_455 . 101_554 70.4133(6) N
    Bi3 Ba O 201_455 . 1_455 35.81(16) N
    Bi3 Ba O 201_455 . 2_545 145.4(3)   N
    Bi3 Ba O 201_455 . 3_665 88.71(15) N
    Bi3 Ba O 201_455 . -101_434 85.51(18) N
    Bi3 Ba O 201_455 . -102_444 94.5(2)   N
    Bi3 Ba O 201_455 . -103_334 36.10(14) N
    Bi3 Ba Bi5 201_555 . 1_555 70.71(17) N
    Bi3 Ba Bi5 201_555 . 101_444 179.8733(7) N
    Bi3 Ba Bi5 201_555 . 101_544 70.4133(6) N
    Bi3 Ba Bi5 201_555 . 101_554 70.4133(6) N
    Bi3 Ba O 201_555 . 1_455 145.4(3)   N
    Bi3 Ba O 201_555 . 2_545 88.71(15) N
    Bi3 Ba O 201_555 . 3_665 35.81(16) N
    Bi3 Ba O 201_555 . -101_434 94.5(2)   N
    Bi3 Ba O 201_555 . -102_444 36.10(14) N
    Bi3 Ba O 201_555 . -103_334 85.51(18) N
    Bi5 Ba Bi5 1_555 . 101_444 109.42(17) N
    Bi5 Ba Bi5 1_555 . 101_544 109.42(17) N
    Bi5 Ba Bi5 1_555 . 101_554 109.42(17) N
    Bi5 Ba O 1_555 . 1_455 89.4(3)   N
    Bi5 Ba O 1_555 . 2_545 89.4(3)   N
    Bi5 Ba O 1_555 . 3_665 89.4(3)   N
    Bi5 Ba O 1_555 . -101_434 35.34(14) N
    Bi5 Ba O 1_555 . -102_444 35.34(14) N
    Bi5 Ba O 1_555 . -103_334 35.34(14) N
    Bi5 Ba Bi5 101_444 . 101_544 109.52(17) N
    Bi5 Ba Bi5 101_444 . 101_554 109.52(17) N
    Bi5 Ba O 101_444 . 1_455 34.64(16) N
    Bi5 Ba O 101_444 . 2_545 91.29(15) N
    Bi5 Ba O 101_444 . 3_665 144.1(3)   N
    Bi5 Ba O 101_444 . -101_434 85.65(10) N
    Bi5 Ba O 101_444 . -102_444 144.0(3)   N
    Bi5 Ba O 101_444 . -103_334 94.60(13) N
    Bi5 Ba Bi5 101_544 . 101_554 109.52(17) N
    Bi5 Ba O 101_544 . 1_455 144.1(3)   N
    Bi5 Ba O 101_544 . 2_545 34.64(16) N
    Bi5 Ba O 101_544 . 3_665 91.29(15) N
    Bi5 Ba O 101_544 . -101_434 94.60(13) N
    Bi5 Ba O 101_544 . -102_444 85.65(10) N
    Bi5 Ba O 101_544 . -103_334 144.0(3)   N
    Bi5 Ba O 101_554 . 1_455 91.29(15) N
    Bi5 Ba O 101_554 . 2_545 144.1(3)   N
    Bi5 Ba O 101_554 . 3_665 34.64(16) N
    Bi5 Ba O 101_554 . -101_434 144.0(3)   N
    Bi5 Ba O 101_554 . -102_444 94.60(13) N
    Bi5 Ba O 101_554 . -103_334 85.65(10) N
    O Ba O 1_455 . 2_545 119.990(11) N
    O Ba O 1_455 . 3_665 119.990(11) N
    O Ba O 1_455 . -101_434 83.4(2)   N
    O Ba O 1_455 . -102_444 122.5(4) N
    O Ba O 1_455 . -103_334 63.5(3)   N
    O Ba O 2_545 . 3_665 119.990(11) N
    O Ba O 2_545 . -101_434 63.5(3)   N
    O Ba O 2_545 . -102_444 83.4(2)   N
    O Ba O 2_545 . -103_334 122.5(4) N
    O Ba O 3_665 . -101_434 122.5(4) N
    O Ba O 3_665 . -102_444 63.5(3)   N
    O Ba O 3_665 . -103_334 83.4(2)   N
    O Ba O -101_434 . -102_444 60.1(2)   N
    O Ba O -101_434 . -103_334 60.1(2)   N
    O Ba O -102_444 . -103_334 60.1(2)   N
    Ba Bi3 Ba 1_555 . -1_555 180.0 N
    Ba Bi3 Ba 1_555 . 101_444 109.29(17) N
    Ba Bi3 Ba 1_555 . 101_544 109.29(17) N
    Ba Bi3 Ba 1_555 . 101_554 109.29(17) N
    Ba Bi3 Ba 1_555 . -201_334 70.71(17) N
    Ba Bi3 Ba 1_555 . -201_344 70.71(17) N
    Ba Bi3 Ba 1_555 . -201_444 70.71(17) N
    Ba Bi3 O 1_555 . 101_444 123.22(14) N
    Ba Bi3 O 1_555 . 102_544 123.22(14) N
    Ba Bi3 O 1_555 . 103_554 123.22(14) N
    Ba Bi3 O 1_555 . -201_444 56.78(14) N
    Ba Bi3 O 1_555 . -202_344 56.78(14) N
    Ba Bi3 O 1_555 . -203_334 56.78(14) N
    Ba Bi3 Ba -1_555 . 101_444 70.71(17) N
    Ba Bi3 Ba -1_555 . 101_544 70.71(17) N
    Ba Bi3 Ba -1_555 . 101_554 70.71(17) N
    Ba Bi3 Ba -1_555 . -201_334 109.29(17) N
    Ba Bi3 Ba -1_555 . -201_344 109.29(17) N
    Ba Bi3 Ba -1_555 . -201_444 109.29(17) N
    Ba Bi3 O -1_555 . 101_444 56.78(14) N
    Ba Bi3 O -1_555 . 102_544 56.78(14) N
    Ba Bi3 O -1_555 . 103_554 56.78(14) N
    Ba Bi3 O -1_555 . -201_444 123.22(14) N
    Ba Bi3 O -1_555 . -202_344 123.22(14) N
    Ba Bi3 O -1_555 . -203_334 123.22(14) N
    Ba Bi3 Ba 101_444 . 101_544 109.65(17) N
    Ba Bi3 Ba 101_444 . 101_554 109.65(17) N
    Ba Bi3 Ba 101_444 . -201_334 70.35(17) N
    Ba Bi3 Ba 101_444 . -201_344 70.35(17) N
    Ba Bi3 Ba 101_444 . -201_444 180.0 N
    Ba Bi3 O 101_444 . 101_444 62.29(9) N
    Ba Bi3 O 101_444 . 102_544 126.80(17) N
    Ba Bi3 O 101_444 . 103_554 47.39(8) N
    Ba Bi3 O 101_444 . -201_444 117.71(9) N
    Ba Bi3 O 101_444 . -202_344 53.20(17) N
    Ba Bi3 O 101_444 . -203_334 132.61(8) N
    Ba Bi3 Ba 101_544 . 101_554 109.65(17) N
    Ba Bi3 Ba 101_544 . -201_334 70.35(17) N
    Ba Bi3 Ba 101_544 . -201_344 179.9802 N
    Ba Bi3 Ba 101_544 . -201_444 70.35(17) N
    Ba Bi3 O 101_544 . 101_444 47.39(8) N
    Ba Bi3 O 101_544 . 102_544 62.29(9) N
    Ba Bi3 O 101_544 . 103_554 126.80(17) N
    Ba Bi3 O 101_544 . -201_444 132.61(8) N
    Ba Bi3 O 101_544 . -202_344 117.71(9) N
    Ba Bi3 O 101_544 . -203_334 53.20(17) N
    Ba Bi3 Ba 101_554 . -201_334 180.0 N
    Ba Bi3 Ba 101_554 . -201_344 70.35(17) N
    Ba Bi3 Ba 101_554 . -201_444 70.35(17) N
    Ba Bi3 O 101_554 . 101_444 126.80(17) N
    Ba Bi3 O 101_554 . 102_544 47.39(8) N
    Ba Bi3 O 101_554 . 103_554 62.29(9) N
    Ba Bi3 O 101_554 . -201_444 53.20(17) N
    Ba Bi3 O 101_554 . -202_344 132.61(8) N
    Ba Bi3 O 101_554 . -203_334 117.71(9) N
    Ba Bi3 Ba -201_334 . -201_344 109.65(17) N
    Ba Bi3 Ba -201_334 . -201_444 109.65(17) N
    Ba Bi3 O -201_334 . 101_444 53.20(17) N
    Ba Bi3 O -201_334 . 102_544 132.61(8) N
    Ba Bi3 O -201_334 . 103_554 117.71(9) N
    Ba Bi3 O -201_334 . -201_444 126.80(17) N
    Ba Bi3 O -201_334 . -202_344 47.39(8) N
    Ba Bi3 O -201_334 . -203_334 62.29(9) N
    Ba Bi3 Ba -201_344 . -201_444 109.65(17) N
    Ba Bi3 O -201_344 . 101_444 132.61(8) N
    Ba Bi3 O -201_344 . 102_544 117.71(9) N
    Ba Bi3 O -201_344 . 103_554 53.20(17) N
    Ba Bi3 O -201_344 . -201_444 47.39(8) N
    Ba Bi3 O -201_344 . -202_344 62.29(9) N
    Ba Bi3 O -201_344 . -203_334 126.80(17) N
    Ba Bi3 O -201_444 . 101_444 117.71(9) N
    Ba Bi3 O -201_444 . 102_544 53.20(17) N
    Ba Bi3 O -201_444 . 103_554 132.61(8) N
    Ba Bi3 O -201_444 . -201_444 62.29(9) N
    Ba Bi3 O -201_444 . -202_344 126.80(17) N
    Ba Bi3 O -201_444 . -203_334 47.39(8) N
    O Bi3 O 101_444 . 102_544 92.9(2)   N
    O Bi3 O 101_444 . 103_554 92.9(2)   N
    O Bi3 O 101_444 . -201_444 180.0 N
    O Bi3 O 101_444 . -202_344 87.2(2)   N
    O Bi3 O 101_444 . -203_334 87.2(2)   N
    O Bi3 O 102_544 . 103_554 92.9(2)   N
    O Bi3 O 102_544 . -201_444 87.2(2)   N
    O Bi3 O 102_544 . -202_344 180.0 N
    O Bi3 O 102_544 . -203_334 87.2(2)   N
    O Bi3 O 103_554 . -201_444 87.2(2)   N
    O Bi3 O 103_554 . -202_344 87.2(2)   N
    O Bi3 O 103_554 . -203_334 179.9802 N
    O Bi3 O -201_444 . -202_344 92.9(2)   N
    O Bi3 O -201_444 . -203_334 92.9(2)   N
    O Bi3 O -202_344 . -203_334 92.9(2)   N
    Ba Bi5 Ba 1_555 . -1_556 180.0 N
    Ba Bi5 Ba 1_555 . -101_334 70.58(17) N
    Ba Bi5 Ba 1_555 . -101_434 70.58(17) N
    Ba Bi5 Ba 1_555 . -101_444 70.58(17) N
    Ba Bi5 Ba 1_555 . 201_445 109.42(17) N
    Ba Bi5 Ba 1_555 . 201_455 109.42(17) N
    Ba Bi5 Ba 1_555 . 201_555 109.42(17) N
    Ba Bi5 O 1_555 . -101_434 53.70(15) N
    Ba Bi5 O 1_555 . -102_444 53.70(15) N
    Ba Bi5 O 1_555 . -103_334 53.70(15) N
    Ba Bi5 O 1_555 . 201_455 126.30(15) N
    Ba Bi5 O 1_555 . 202_445 126.30(15) N
    Ba Bi5 O 1_555 . 203_555 126.30(15) N
    Ba Bi5 Ba -1_556 . -101_334 109.42(17) N
    Ba Bi5 Ba -1_556 . -101_434 109.42(17) N
    Ba Bi5 Ba -1_556 . -101_444 109.42(17) N
    Ba Bi5 Ba -1_556 . 201_445 70.58(17) N
    Ba Bi5 Ba -1_556 . 201_455 70.58(17) N
    Ba Bi5 Ba -1_556 . 201_555 70.58(17) N
    Ba Bi5 O -1_556 . -101_434 126.30(15) N
    Ba Bi5 O -1_556 . -102_444 126.30(15) N
    Ba Bi5 O -1_556 . -103_334 126.30(15) N
    Ba Bi5 O -1_556 . 201_455 53.70(15) N
    Ba Bi5 O -1_556 . 202_445 53.70(15) N
    Ba Bi5 O -1_556 . 203_555 53.70(15) N
    Ba Bi5 Ba -101_334 . -101_434 109.52(17) N
    Ba Bi5 Ba -101_334 . -101_444 109.52(17) N
    Ba Bi5 Ba -101_334 . 201_445 70.48(17) N
    Ba Bi5 Ba -101_334 . 201_455 70.48(17) N
    Ba Bi5 Ba -101_334 . 201_555 180.0 N
    Ba Bi5 O -101_334 . -101_434 47.13(12) N
    Ba Bi5 O -101_334 . -102_444 123.56(17) N
    Ba Bi5 O -101_334 . -103_334 62.42(8) N
    Ba Bi5 O -101_334 . 201_455 132.87(12) N
    Ba Bi5 O -101_334 . 202_445 56.44(17) N
    Ba Bi5 O -101_334 . 203_555 117.58(8) N
    Ba Bi5 Ba -101_434 . -101_444 109.52(17) N
    Ba Bi5 Ba -101_434 . 201_445 70.48(17) N
    Ba Bi5 Ba -101_434 . 201_455 179.9802 N
    Ba Bi5 Ba -101_434 . 201_555 70.48(17) N
    Ba Bi5 O -101_434 . -101_434 62.42(8) N
    Ba Bi5 O -101_434 . -102_444 47.13(12) N
    Ba Bi5 O -101_434 . -103_334 123.56(17) N
    Ba Bi5 O -101_434 . 201_455 117.58(8) N
    Ba Bi5 O -101_434 . 202_445 132.87(12) N
    Ba Bi5 O -101_434 . 203_555 56.44(17) N
    Ba Bi5 Ba -101_444 . 201_445 179.9802 N
    Ba Bi5 Ba -101_444 . 201_455 70.48(17) N
    Ba Bi5 Ba -101_444 . 201_555 70.48(17) N
    Ba Bi5 O -101_444 . -101_434 123.56(17) N
    Ba Bi5 O -101_444 . -102_444 62.42(8) N
    Ba Bi5 O -101_444 . -103_334 47.13(12) N
    Ba Bi5 O -101_444 . 201_455 56.44(17) N
    Ba Bi5 O -101_444 . 202_445 117.58(8) N
    Ba Bi5 O -101_444 . 203_555 132.87(12) N
    Ba Bi5 Ba 201_445 . 201_455 109.52(17) N
    Ba Bi5 Ba 201_445 . 201_555 109.52(17) N
    Ba Bi5 O 201_445 . -101_434 56.44(17) N
    Ba Bi5 O 201_445 . -102_444 117.58(8) N
    Ba Bi5 O 201_445 . -103_334 132.87(12) N
    Ba Bi5 O 201_445 . 201_455 123.56(17) N
    Ba Bi5 O 201_445 . 202_445 62.42(8) N
    Ba Bi5 O 201_445 . 203_555 47.13(12) N
    Ba Bi5 Ba 201_455 . 201_555 109.52(17) N
    Ba Bi5 O 201_455 . -101_434 117.58(8) N
    Ba Bi5 O 201_455 . -102_444 132.87(12) N
    Ba Bi5 O 201_455 . -103_334 56.44(17) N
    Ba Bi5 O 201_455 . 201_455 62.42(8) N
    Ba Bi5 O 201_455 . 202_445 47.13(12) N
    Ba Bi5 O 201_455 . 203_555 123.56(17) N
    Ba Bi5 O 201_555 . -101_434 132.87(12) N
    Ba Bi5 O 201_555 . -102_444 56.44(17) N
    Ba Bi5 O 201_555 . -103_334 117.58(8) N
    Ba Bi5 O 201_555 . 201_455 47.13(12) N
    Ba Bi5 O 201_555 . 202_445 123.56(17) N
    Ba Bi5 O 201_555 . 203_555 62.42(8) N
    O Bi5 O -101_434 . -102_444 88.5(2)   N
    O Bi5 O -101_434 . -103_334 88.5(2)   N
    O Bi5 O -101_434 . 201_455 180.0 N
    O Bi5 O -101_434 . 202_445 91.5(2)   N
    O Bi5 O -101_434 . 203_555 91.5(2)   N
    O Bi5 O -102_444 . -103_334 88.5(2)   N
    O Bi5 O -102_444 . 201_455 91.5(2)   N
    O Bi5 O -102_444 . 202_445 179.972 N
    O Bi5 O -102_444 . 203_555 91.5(2)   N
    O Bi5 O -103_334 . 201_455 91.5(2)   N
    O Bi5 O -103_334 . 202_445 91.5(2)   N
    O Bi5 O -103_334 . 203_555 180.0 N
    O Bi5 O 201_455 . 202_445 88.5(2)   N
    O Bi5 O 201_455 . 203_555 88.5(2)   N
    O Bi5 O 202_445 . 203_555 88.5(2)   N
    Ba O Ba 1_655 . -101_434 96.6(2)   N
    Ba O Bi3 1_655 . 201_555 96.8(2)   N
    Ba O Bi5 1_655 . 101_544 98.2(3)   N
    Ba O Bi3 -101_434 . 201_555 90.70(17) N
    Ba O Bi5 -101_434 . 101_544 91.0(2)   N
    Bi3 O Bi5 201_555 . 101_544 164.58(7) N
data_BABIO3_893K_phase_1
_chemical_formula_sum     "Ba Bi O3"
_chemical_formula_weight     394.31
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     "F m -3 m"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 +z,+x,+y
    3 +y,+z,+x
    4 +x,+y,-z
    5 -z,+x,+y
    6 +y,-z,+x
    7 -z,+x,-y
    8 -y,-z,+x
    9 +y,-z,-x
    10 -x,+y,-z
    11 -z,-x,+y
    12 +x,-y,-z
    13 +y,+x,+z
    14 +z,+y,+x
    15 +x,+z,+y
    16 +y,+x,-z
    17 -z,+y,+x
    18 +x,-z,+y
    19 -z,+y,-x
    20 -x,-z,+y
    21 +x,-z,-y
    22 -y,+x,-z
    23 -z,-y,+x
    24 +y,-x,-z
    -1 -x,-y,-z
    -2 -z,-x,-y
    -3 -y,-z,-x
    -4 -x,-y,+z
    -5 +z,-x,-y
    -6 -y,+z,-x
    -7 +z,-x,+y
    -8 +y,+z,-x
    -9 -y,+z,+x
    -10 +x,-y,+z
    -11 +z,+x,-y
    -12 -x,+y,+z
    -13 -y,-x,-z
    -14 -z,-y,-x
    -15 -x,-z,-y
    -16 -y,-x,+z
    -17 +z,-y,-x
    -18 -x,+z,-y
    -19 +z,-y,+x
    -20 +x,+z,-y
    -21 -x,+z,+y
    -22 +y,-x,+z
    -23 +z,+y,-x
    -24 -y,+x,+z
    101 +x,+y+1/2,+z+1/2
    102 +z,+x+1/2,+y+1/2
    103 +y,+z+1/2,+x+1/2
    104 +x,+y+1/2,-z+1/2
    105 -z,+x+1/2,+y+1/2
    106 +y,-z+1/2,+x+1/2
    107 -z,+x+1/2,-y+1/2
    108 -y,-z+1/2,+x+1/2
    109 +y,-z+1/2,-x+1/2
    110 -x,+y+1/2,-z+1/2
    111 -z,-x+1/2,+y+1/2
    112 +x,-y+1/2,-z+1/2
    113 +y,+x+1/2,+z+1/2
    114 +z,+y+1/2,+x+1/2
    115 +x,+z+1/2,+y+1/2
    116 +y,+x+1/2,-z+1/2
    117 -z,+y+1/2,+x+1/2
    118 +x,-z+1/2,+y+1/2
    119 -z,+y+1/2,-x+1/2
    120 -x,-z+1/2,+y+1/2
    121 +x,-z+1/2,-y+1/2
    122 -y,+x+1/2,-z+1/2
    123 -z,-y+1/2,+x+1/2
    124 +y,-x+1/2,-z+1/2
    -101 -x,-y+1/2,-z+1/2
    -102 -z,-x+1/2,-y+1/2
    -103 -y,-z+1/2,-x+1/2
    -104 -x,-y+1/2,+z+1/2
    -105 +z,-x+1/2,-y+1/2
    -106 -y,+z+1/2,-x+1/2
    -107 +z,-x+1/2,+y+1/2
    -108 +y,+z+1/2,-x+1/2
    -109 -y,+z+1/2,+x+1/2
    -110 +x,-y+1/2,+z+1/2
    -111 +z,+x+1/2,-y+1/2
    -112 -x,+y+1/2,+z+1/2
    -113 -y,-x+1/2,-z+1/2
    -114 -z,-y+1/2,-x+1/2
    -115 -x,-z+1/2,-y+1/2
    -116 -y,-x+1/2,+z+1/2
    -117 +z,-y+1/2,-x+1/2
    -118 -x,+z+1/2,-y+1/2
    -119 +z,-y+1/2,+x+1/2
    -120 +x,+z+1/2,-y+1/2
    -121 -x,+z+1/2,+y+1/2
    -122 +y,-x+1/2,+z+1/2
    -123 +z,+y+1/2,-x+1/2
    -124 -y,+x+1/2,+z+1/2
    201 +x+1/2,+y,+z+1/2
    202 +z+1/2,+x,+y+1/2
    203 +y+1/2,+z,+x+1/2
    204 +x+1/2,+y,-z+1/2
    205 -z+1/2,+x,+y+1/2
    206 +y+1/2,-z,+x+1/2
    207 -z+1/2,+x,-y+1/2
    208 -y+1/2,-z,+x+1/2
    209 +y+1/2,-z,-x+1/2
    210 -x+1/2,+y,-z+1/2
    211 -z+1/2,-x,+y+1/2
    212 +x+1/2,-y,-z+1/2
    213 +y+1/2,+x,+z+1/2
    214 +z+1/2,+y,+x+1/2
    215 +x+1/2,+z,+y+1/2
    216 +y+1/2,+x,-z+1/2
    217 -z+1/2,+y,+x+1/2
    218 +x+1/2,-z,+y+1/2
    219 -z+1/2,+y,-x+1/2
    220 -x+1/2,-z,+y+1/2
    221 +x+1/2,-z,-y+1/2
    222 -y+1/2,+x,-z+1/2
    223 -z+1/2,-y,+x+1/2
    224 +y+1/2,-x,-z+1/2
    -201 -x+1/2,-y,-z+1/2
    -202 -z+1/2,-x,-y+1/2
    -203 -y+1/2,-z,-x+1/2
    -204 -x+1/2,-y,+z+1/2
    -205 +z+1/2,-x,-y+1/2
    -206 -y+1/2,+z,-x+1/2
    -207 +z+1/2,-x,+y+1/2
    -208 +y+1/2,+z,-x+1/2
    -209 -y+1/2,+z,+x+1/2
    -210 +x+1/2,-y,+z+1/2
    -211 +z+1/2,+x,-y+1/2
    -212 -x+1/2,+y,+z+1/2
    -213 -y+1/2,-x,-z+1/2
    -214 -z+1/2,-y,-x+1/2
    -215 -x+1/2,-z,-y+1/2
    -216 -y+1/2,-x,+z+1/2
    -217 +z+1/2,-y,-x+1/2
    -218 -x+1/2,+z,-y+1/2
    -219 +z+1/2,-y,+x+1/2
    -220 +x+1/2,+z,-y+1/2
    -221 -x+1/2,+z,+y+1/2
    -222 +y+1/2,-x,+z+1/2
    -223 +z+1/2,+y,-x+1/2
    -224 -y+1/2,+x,+z+1/2
    301 +x+1/2,+y+1/2,+z
    302 +z+1/2,+x+1/2,+y
    303 +y+1/2,+z+1/2,+x
    304 +x+1/2,+y+1/2,-z
    305 -z+1/2,+x+1/2,+y
    306 +y+1/2,-z+1/2,+x
    307 -z+1/2,+x+1/2,-y
    308 -y+1/2,-z+1/2,+x
    309 +y+1/2,-z+1/2,-x
    310 -x+1/2,+y+1/2,-z
    311 -z+1/2,-x+1/2,+y
    312 +x+1/2,-y+1/2,-z
    313 +y+1/2,+x+1/2,+z
    314 +z+1/2,+y+1/2,+x
    315 +x+1/2,+z+1/2,+y
    316 +y+1/2,+x+1/2,-z
    317 -z+1/2,+y+1/2,+x
    318 +x+1/2,-z+1/2,+y
    319 -z+1/2,+y+1/2,-x
    320 -x+1/2,-z+1/2,+y
    321 +x+1/2,-z+1/2,-y
    322 -y+1/2,+x+1/2,-z
    323 -z+1/2,-y+1/2,+x
    324 +y+1/2,-x+1/2,-z
    -301 -x+1/2,-y+1/2,-z
    -302 -z+1/2,-x+1/2,-y
    -303 -y+1/2,-z+1/2,-x
    -304 -x+1/2,-y+1/2,+z
    -305 +z+1/2,-x+1/2,-y
    -306 -y+1/2,+z+1/2,-x
    -307 +z+1/2,-x+1/2,+y
    -308 +y+1/2,+z+1/2,-x
    -309 -y+1/2,+z+1/2,+x
    -310 +x+1/2,-y+1/2,+z
    -311 +z+1/2,+x+1/2,-y
    -312 -x+1/2,+y+1/2,+z
    -313 -y+1/2,-x+1/2,-z
    -314 -z+1/2,-y+1/2,-x
    -315 -x+1/2,-z+1/2,-y
    -316 -y+1/2,-x+1/2,+z
    -317 +z+1/2,-y+1/2,-x
    -318 -x+1/2,+z+1/2,-y
    -319 +z+1/2,-y+1/2,+x
    -320 +x+1/2,+z+1/2,-y
    -321 -x+1/2,+z+1/2,+y
    -322 +y+1/2,-x+1/2,+z
    -323 +z+1/2,+y+1/2,-x
    -324 -y+1/2,+x+1/2,+z
_cell_length_a     8.77586(15)
_cell_length_b     8.77586
_cell_length_c     8.77586
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     675.88(4)
_cell_formula_units_Z     8
loop_
    _atom_type_symbol
    Ba
    Bi
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.25 0.25 0.25 0.0434(7) Uiso 1.0
    Bi Bi3 0.0 0.0 0.0 0.0286(10) Uiso 1.0
    Bi Bi5 0.5 0.5 0.5 0.0235(10) Uiso 1.0
    O O 0.2607(2)   0.0 0.0 0.08113 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . 4_555 4.38793(8) N
    Ba Ba . 4_556 4.38793(8) N
    Ba Ba . 5_555 4.38793(8) N
    Ba Ba . 5_655 4.38793(8) N
    Ba Ba . 6_555 4.38793(8) N
    Ba Ba . 6_565 4.38793(8) N
    Ba Bi3 . 1_555 3.80006(5) N
    Ba Bi3 . 101_555 3.80006(5) N
    Ba Bi3 . 201_555 3.80006(5) N
    Ba Bi3 . 301_555 3.80006(5) N
    Ba Bi5 . 1_555 3.80006(5) N
    Ba Bi5 . 101_544 3.80006(5) N
    Ba Bi5 . 201_454 3.80006(5) N
    Ba Bi5 . 301_445 3.80006(5) N
    Ba O . 1_555 3.10416(7) N
    Ba O . 2_555 3.10416(7) N
    Ba O . 3_555 3.10416(8) N
    Ba O . 101_555 3.10416(7) N
    Ba O . 109_555 3.10416(8) N
    Ba O . 111_555 3.10416(7) N
    Ba O . 202_555 3.10416(7) N
    Ba O . 209_555 3.10416(8) N
    Ba O . 210_555 3.10416(7) N
    Ba O . 303_555 3.10416(8) N
    Ba O . 310_555 3.10416(7) N
    Ba O . 311_555 3.10416(7) N
    Bi3 Ba . 1_555 3.80006(5) N
    Bi3 Ba . 4_555 3.80006(5) N
    Bi3 Ba . 5_555 3.80006(5) N
    Bi3 Ba . 6_555 3.80006(5) N
    Bi3 Ba . 7_555 3.80006(5) N
    Bi3 Ba . 8_555 3.80006(5) N
    Bi3 Ba . 9_555 3.80006(5) N
    Bi3 Ba . -1_555 3.80006(5) N
    Bi3 O . 1_555 2.2882(19) N
    Bi3 O . 2_555 2.2882(19) N
    Bi3 O . 3_555 2.2882(19) N
    Bi3 O . 9_555 2.2882(19) N
    Bi3 O . 10_555 2.2882(19) N
    Bi3 O . 11_555 2.2882(19) N
    Bi5 Ba . 1_555 3.80006(5) N
    Bi5 Ba . 4_556 3.80006(5) N
    Bi5 Ba . 5_655 3.80006(5) N
    Bi5 Ba . 6_565 3.80006(5) N
    Bi5 Ba . 7_656 3.80006(5) N
    Bi5 Ba . 8_665 3.80006(5) N
    Bi5 Ba . 9_566 3.80006(5) N
    Bi5 Ba . -1_666 3.80006(5) N
    Bi5 O . 101_555 2.0998(19) N
    Bi5 O . 110_655 2.0998(19) N
    Bi5 O . 202_555 2.0998(19) N
    Bi5 O . 211_565 2.0998(19) N
    Bi5 O . 303_555 2.0998(19) N
    Bi5 O . 309_556 2.0998(19) N
    O Ba . 1_555 3.10416(7) N
    O Ba . 4_555 3.10416(7) N
    O Ba . 6_555 3.10416(7) N
    O Ba . 9_555 3.10416(7) N
    O Bi3 . 1_555 2.2882(19) N
    O Bi5 . 101_544 2.0998(19) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba 4_555 . 4_556 180.0 N
    Ba Ba Ba 4_555 . 5_555 90.0 N
    Ba Ba Ba 4_555 . 5_655 90.0 N
    Ba Ba Ba 4_555 . 6_555 90.0 N
    Ba Ba Ba 4_555 . 6_565 90.0 N
    Ba Ba Bi3 4_555 . 1_555 54.7356(7) N
    Ba Ba Bi3 4_555 . 101_555 125.2644(7) N
    Ba Ba Bi3 4_555 . 201_555 125.2644(7) N
    Ba Ba Bi3 4_555 . 301_555 54.7356(7) N
    Ba Ba Bi5 4_555 . 1_555 125.2644(7) N
    Ba Ba Bi5 4_555 . 101_544 54.7356(7) N
    Ba Ba Bi5 4_555 . 201_454 54.7356(7) N
    Ba Ba Bi5 4_555 . 301_445 125.2644(7) N
    Ba Ba O 4_555 . 1_555 45.0264(13) N
    Ba Ba O 4_555 . 2_555 45.0264(13) N
    Ba Ba O 4_555 . 3_555 91.74(4) N
    Ba Ba O 4_555 . 101_555 134.9736(13) N
    Ba Ba O 4_555 . 109_555 88.26(4) N
    Ba Ba O 4_555 . 111_555 134.9736(13) N
    Ba Ba O 4_555 . 202_555 134.9736(13) N
    Ba Ba O 4_555 . 209_555 88.26(4) N
    Ba Ba O 4_555 . 210_555 134.9736(13) N
    Ba Ba O 4_555 . 303_555 91.74(4) N
    Ba Ba O 4_555 . 310_555 45.0264(13) N
    Ba Ba Ba 4_556 . 5_555 90.0 N
    Ba Ba Ba 4_556 . 5_655 90.0 N
    Ba Ba Ba 4_556 . 6_555 90.0 N
    Ba Ba Ba 4_556 . 6_565 90.0 N
    Ba Ba Bi3 4_556 . 1_555 125.2644(7) N
    Ba Ba Bi3 4_556 . 101_555 54.7356(7) N
    Ba Ba Bi3 4_556 . 201_555 54.7356(7) N
    Ba Ba Bi3 4_556 . 301_555 125.2644(7) N
    Ba Ba Bi5 4_556 . 1_555 54.7356(7) N
    Ba Ba Bi5 4_556 . 101_544 125.2644(7) N
    Ba Ba Bi5 4_556 . 201_454 125.2644(7) N
    Ba Ba Bi5 4_556 . 301_445 54.7356(7) N
    Ba Ba O 4_556 . 1_555 134.9736(13) N
    Ba Ba O 4_556 . 2_555 134.9736(13) N
    Ba Ba O 4_556 . 3_555 88.26(4) N
    Ba Ba O 4_556 . 101_555 45.0264(13) N
    Ba Ba O 4_556 . 109_555 91.74(4) N
    Ba Ba O 4_556 . 111_555 45.0264(13) N
    Ba Ba O 4_556 . 202_555 45.0264(13) N
    Ba Ba O 4_556 . 209_555 91.74(4) N
    Ba Ba O 4_556 . 210_555 45.0264(13) N
    Ba Ba O 4_556 . 303_555 88.26(4) N
    Ba Ba O 4_556 . 310_555 134.9736(13) N
    Ba Ba Ba 5_555 . 5_655 180.0 N
    Ba Ba Ba 5_555 . 6_555 90.0 N
    Ba Ba Ba 5_555 . 6_565 90.0 N
    Ba Ba Bi3 5_555 . 1_555 54.7356(3)   N
    Ba Ba Bi3 5_555 . 101_555 54.7356(3)   N
    Ba Ba Bi3 5_555 . 201_555 125.2644(3)   N
    Ba Ba Bi3 5_555 . 301_555 125.2644(3)   N
    Ba Ba Bi5 5_555 . 1_555 125.2644(3)   N
    Ba Ba Bi5 5_555 . 101_544 125.2644(3)   N
    Ba Ba Bi5 5_555 . 201_454 54.7356(3)   N
    Ba Ba Bi5 5_555 . 301_445 54.7356(3)   N
    Ba Ba O 5_555 . 1_555 91.74(4) N
    Ba Ba O 5_555 . 2_555 45.0264(13) N
    Ba Ba O 5_555 . 3_555 45.0264(11) N
    Ba Ba O 5_555 . 101_555 91.74(4) N
    Ba Ba O 5_555 . 109_555 45.0264(11) N
    Ba Ba O 5_555 . 111_555 45.0264(13) N
    Ba Ba O 5_555 . 202_555 134.9736(13) N
    Ba Ba O 5_555 . 209_555 134.9736(11) N
    Ba Ba O 5_555 . 210_555 88.26(4) N
    Ba Ba O 5_555 . 303_555 134.9736(11) N
    Ba Ba O 5_555 . 310_555 88.26(4) N
    Ba Ba Ba 5_655 . 6_555 90.0 N
    Ba Ba Ba 5_655 . 6_565 90.0 N
    Ba Ba Bi3 5_655 . 1_555 125.2644(3)   N
    Ba Ba Bi3 5_655 . 101_555 125.2644(3)   N
    Ba Ba Bi3 5_655 . 201_555 54.7356(3)   N
    Ba Ba Bi3 5_655 . 301_555 54.7356(3)   N
    Ba Ba Bi5 5_655 . 1_555 54.7356(3)   N
    Ba Ba Bi5 5_655 . 101_544 54.7356(3)   N
    Ba Ba Bi5 5_655 . 201_454 125.2644(3)   N
    Ba Ba Bi5 5_655 . 301_445 125.2644(3)   N
    Ba Ba O 5_655 . 1_555 88.26(4) N
    Ba Ba O 5_655 . 2_555 134.9736(13) N
    Ba Ba O 5_655 . 3_555 134.9736(11) N
    Ba Ba O 5_655 . 101_555 88.26(4) N
    Ba Ba O 5_655 . 109_555 134.9736(11) N
    Ba Ba O 5_655 . 111_555 134.9736(13) N
    Ba Ba O 5_655 . 202_555 45.0264(13) N
    Ba Ba O 5_655 . 209_555 45.0264(11) N
    Ba Ba O 5_655 . 210_555 91.74(4) N
    Ba Ba O 5_655 . 303_555 45.0264(11) N
    Ba Ba O 5_655 . 310_555 91.74(4) N
    Ba Ba Ba 6_555 . 6_565 180.0 N
    Ba Ba Bi3 6_555 . 1_555 54.7356(3)   N
    Ba Ba Bi3 6_555 . 101_555 125.2644(3)   N
    Ba Ba Bi3 6_555 . 201_555 54.7356(3)   N
    Ba Ba Bi3 6_555 . 301_555 125.2644(3)   N
    Ba Ba Bi5 6_555 . 1_555 125.2644(3)   N
    Ba Ba Bi5 6_555 . 101_544 54.7356(3)   N
    Ba Ba Bi5 6_555 . 201_454 125.2644(3)   N
    Ba Ba Bi5 6_555 . 301_445 54.7356(3)   N
    Ba Ba O 6_555 . 1_555 45.0264(13) N
    Ba Ba O 6_555 . 2_555 91.74(4) N
    Ba Ba O 6_555 . 3_555 45.0264(11) N
    Ba Ba O 6_555 . 101_555 134.9736(13) N
    Ba Ba O 6_555 . 109_555 134.9736(11) N
    Ba Ba O 6_555 . 111_555 88.26(4) N
    Ba Ba O 6_555 . 202_555 91.74(4) N
    Ba Ba O 6_555 . 209_555 45.0264(11) N
    Ba Ba O 6_555 . 210_555 45.0264(13) N
    Ba Ba O 6_555 . 303_555 134.9736(11) N
    Ba Ba O 6_555 . 310_555 134.9736(13) N
    Ba Ba Bi3 6_565 . 1_555 125.2644(3)   N
    Ba Ba Bi3 6_565 . 101_555 54.7356(3)   N
    Ba Ba Bi3 6_565 . 201_555 125.2644(3)   N
    Ba Ba Bi3 6_565 . 301_555 54.7356(3)   N
    Ba Ba Bi5 6_565 . 1_555 54.7356(3)   N
    Ba Ba Bi5 6_565 . 101_544 125.2644(3)   N
    Ba Ba Bi5 6_565 . 201_454 54.7356(3)   N
    Ba Ba Bi5 6_565 . 301_445 125.2644(3)   N
    Ba Ba O 6_565 . 1_555 134.9736(13) N
    Ba Ba O 6_565 . 2_555 88.26(4) N
    Ba Ba O 6_565 . 3_555 134.9736(11) N
    Ba Ba O 6_565 . 101_555 45.0264(13) N
    Ba Ba O 6_565 . 109_555 45.0264(11) N
    Ba Ba O 6_565 . 111_555 91.74(4) N
    Ba Ba O 6_565 . 202_555 88.26(4) N
    Ba Ba O 6_565 . 209_555 134.9736(11) N
    Ba Ba O 6_565 . 210_555 134.9736(13) N
    Ba Ba O 6_565 . 303_555 45.0264(11) N
    Ba Ba O 6_565 . 310_555 45.0264(13) N
    Bi3 Ba Bi3 1_555 . 101_555 109.4712(7) N
    Bi3 Ba Bi3 1_555 . 201_555 109.4712(7) N
    Bi3 Ba Bi3 1_555 . 301_555 109.4712(13) N
    Bi3 Ba Bi5 1_555 . 1_555 180.0 N
    Bi3 Ba Bi5 1_555 . 101_544 70.5288(7) N
    Bi3 Ba Bi5 1_555 . 201_454 70.5288(7) N
    Bi3 Ba Bi5 1_555 . 301_445 70.5288(13) N
    Bi3 Ba O 1_555 . 1_555 37.00(4) N
    Bi3 Ba O 1_555 . 2_555 37.00(4) N
    Bi3 Ba O 1_555 . 3_555 37.00(4) N
    Bi3 Ba O 1_555 . 101_555 146.47(4) N
    Bi3 Ba O 1_555 . 109_555 89.00(2)   N
    Bi3 Ba O 1_555 . 111_555 89.00(2)   N
    Bi3 Ba O 1_555 . 202_555 146.47(4) N
    Bi3 Ba O 1_555 . 209_555 89.00(2)   N
    Bi3 Ba O 1_555 . 210_555 89.00(2)   N
    Bi3 Ba O 1_555 . 303_555 146.47(4) N
    Bi3 Ba O 1_555 . 310_555 89.00(2)   N
    Bi3 Ba Bi3 101_555 . 201_555 109.4712(13) N
    Bi3 Ba Bi3 101_555 . 301_555 109.4712(7) N
    Bi3 Ba Bi5 101_555 . 1_555 70.5288(7) N
    Bi3 Ba Bi5 101_555 . 101_544 180.0 N
    Bi3 Ba Bi5 101_555 . 201_454 70.5288(13) N
    Bi3 Ba Bi5 101_555 . 301_445 70.5288(7) N
    Bi3 Ba O 101_555 . 1_555 146.47(4) N
    Bi3 Ba O 101_555 . 2_555 89.00(2)   N
    Bi3 Ba O 101_555 . 3_555 89.00(2)   N
    Bi3 Ba O 101_555 . 101_555 37.00(4) N
    Bi3 Ba O 101_555 . 109_555 37.00(4) N
    Bi3 Ba O 101_555 . 111_555 37.00(4) N
    Bi3 Ba O 101_555 . 202_555 89.00(2)   N
    Bi3 Ba O 101_555 . 209_555 146.47(4) N
    Bi3 Ba O 101_555 . 210_555 89.00(2)   N
    Bi3 Ba O 101_555 . 303_555 89.00(2)   N
    Bi3 Ba O 101_555 . 310_555 89.00(2)   N
    Bi3 Ba Bi3 201_555 . 301_555 109.4712(7) N
    Bi3 Ba Bi5 201_555 . 1_555 70.5288(7) N
    Bi3 Ba Bi5 201_555 . 101_544 70.5288(13) N
    Bi3 Ba Bi5 201_555 . 201_454 180.0 N
    Bi3 Ba Bi5 201_555 . 301_445 70.5288(7) N
    Bi3 Ba O 201_555 . 1_555 89.00(2)   N
    Bi3 Ba O 201_555 . 2_555 146.47(4) N
    Bi3 Ba O 201_555 . 3_555 89.00(2)   N
    Bi3 Ba O 201_555 . 101_555 89.00(2)   N
    Bi3 Ba O 201_555 . 109_555 146.47(4) N
    Bi3 Ba O 201_555 . 111_555 89.00(2)   N
    Bi3 Ba O 201_555 . 202_555 37.00(4) N
    Bi3 Ba O 201_555 . 209_555 37.00(4) N
    Bi3 Ba O 201_555 . 210_555 37.00(4) N
    Bi3 Ba O 201_555 . 303_555 89.00(2)   N
    Bi3 Ba O 201_555 . 310_555 146.47(4) N
    Bi3 Ba Bi5 301_555 . 1_555 70.5288(13) N
    Bi3 Ba Bi5 301_555 . 101_544 70.5288(7) N
    Bi3 Ba Bi5 301_555 . 201_454 70.5288(7) N
    Bi3 Ba Bi5 301_555 . 301_445 180.0 N
    Bi3 Ba O 301_555 . 1_555 89.00(2)   N
    Bi3 Ba O 301_555 . 2_555 89.00(2)   N
    Bi3 Ba O 301_555 . 3_555 146.47(4) N
    Bi3 Ba O 301_555 . 101_555 89.00(2)   N
    Bi3 Ba O 301_555 . 109_555 89.00(2)   N
    Bi3 Ba O 301_555 . 111_555 146.47(4) N
    Bi3 Ba O 301_555 . 202_555 89.00(2)   N
    Bi3 Ba O 301_555 . 209_555 89.00(2)   N
    Bi3 Ba O 301_555 . 210_555 146.47(4) N
    Bi3 Ba O 301_555 . 303_555 37.00(4) N
    Bi3 Ba O 301_555 . 310_555 37.00(4) N
    Bi5 Ba Bi5 1_555 . 101_544 109.4712(7) N
    Bi5 Ba Bi5 1_555 . 201_454 109.4712(7) N
    Bi5 Ba Bi5 1_555 . 301_445 109.4712(13) N
    Bi5 Ba O 1_555 . 1_555 143.00(4) N
    Bi5 Ba O 1_555 . 2_555 143.00(4) N
    Bi5 Ba O 1_555 . 3_555 143.00(4) N
    Bi5 Ba O 1_555 . 101_555 33.53(4) N
    Bi5 Ba O 1_555 . 109_555 91.00(2)   N
    Bi5 Ba O 1_555 . 111_555 91.00(2)   N
    Bi5 Ba O 1_555 . 202_555 33.53(4) N
    Bi5 Ba O 1_555 . 209_555 91.00(2)   N
    Bi5 Ba O 1_555 . 210_555 91.00(2)   N
    Bi5 Ba O 1_555 . 303_555 33.53(4) N
    Bi5 Ba O 1_555 . 310_555 91.00(2)   N
    Bi5 Ba Bi5 101_544 . 201_454 109.4712(13) N
    Bi5 Ba Bi5 101_544 . 301_445 109.4712(7) N
    Bi5 Ba O 101_544 . 1_555 33.53(4) N
    Bi5 Ba O 101_544 . 2_555 91.00(2)   N
    Bi5 Ba O 101_544 . 3_555 91.00(2)   N
    Bi5 Ba O 101_544 . 101_555 143.00(4) N
    Bi5 Ba O 101_544 . 109_555 143.00(4) N
    Bi5 Ba O 101_544 . 111_555 143.00(4) N
    Bi5 Ba O 101_544 . 202_555 91.00(2)   N
    Bi5 Ba O 101_544 . 209_555 33.53(4) N
    Bi5 Ba O 101_544 . 210_555 91.00(2)   N
    Bi5 Ba O 101_544 . 303_555 91.00(2)   N
    Bi5 Ba O 101_544 . 310_555 91.00(2)   N
    Bi5 Ba Bi5 201_454 . 301_445 109.4712(7) N
    Bi5 Ba O 201_454 . 1_555 91.00(2)   N
    Bi5 Ba O 201_454 . 2_555 33.53(4) N
    Bi5 Ba O 201_454 . 3_555 91.00(2)   N
    Bi5 Ba O 201_454 . 101_555 91.00(2)   N
    Bi5 Ba O 201_454 . 109_555 33.53(4) N
    Bi5 Ba O 201_454 . 111_555 91.00(2)   N
    Bi5 Ba O 201_454 . 202_555 143.00(4) N
    Bi5 Ba O 201_454 . 209_555 143.00(4) N
    Bi5 Ba O 201_454 . 210_555 143.00(4) N
    Bi5 Ba O 201_454 . 303_555 91.00(2)   N
    Bi5 Ba O 201_454 . 310_555 33.53(4) N
    Bi5 Ba O 301_445 . 1_555 91.00(2)   N
    Bi5 Ba O 301_445 . 2_555 91.00(2)   N
    Bi5 Ba O 301_445 . 3_555 33.53(4) N
    Bi5 Ba O 301_445 . 101_555 91.00(2)   N
    Bi5 Ba O 301_445 . 109_555 91.00(2)   N
    Bi5 Ba O 301_445 . 111_555 33.53(4) N
    Bi5 Ba O 301_445 . 202_555 91.00(2)   N
    Bi5 Ba O 301_445 . 209_555 91.00(2)   N
    Bi5 Ba O 301_445 . 210_555 33.53(4) N
    Bi5 Ba O 301_445 . 303_555 143.00(4) N
    Bi5 Ba O 301_445 . 310_555 143.00(4) N
    O Ba O 1_555 . 2_555 62.83(6) N
    O Ba O 1_555 . 3_555 62.83(6) N
    O Ba O 1_555 . 101_555 176.52(7) N
    O Ba O 1_555 . 109_555 119.9695(13) N
    O Ba O 1_555 . 111_555 119.9695(15) N
    O Ba O 1_555 . 202_555 119.9696(15) N
    O Ba O 1_555 . 209_555 57.15(6) N
    O Ba O 1_555 . 210_555 90.053(3)   N
    O Ba O 1_555 . 303_555 119.9696(13) N
    O Ba O 1_555 . 310_555 90.053(3)   N
    O Ba O 2_555 . 3_555 62.83(6) N
    O Ba O 2_555 . 101_555 119.9696(15) N
    O Ba O 2_555 . 109_555 57.15(6) N
    O Ba O 2_555 . 111_555 90.053(3)   N
    O Ba O 2_555 . 202_555 176.52(7) N
    O Ba O 2_555 . 209_555 119.9695(13) N
    O Ba O 2_555 . 210_555 119.9695(15) N
    O Ba O 2_555 . 303_555 119.9696(13) N
    O Ba O 2_555 . 310_555 57.15(6) N
    O Ba O 3_555 . 101_555 119.9696(13) N
    O Ba O 3_555 . 109_555 90.053(2)   N
    O Ba O 3_555 . 111_555 57.15(6) N
    O Ba O 3_555 . 202_555 119.9696(13) N
    O Ba O 3_555 . 209_555 90.053(2)   N
    O Ba O 3_555 . 210_555 57.15(6) N
    O Ba O 3_555 . 303_555 176.52(7) N
    O Ba O 3_555 . 310_555 119.9695(13) N
    O Ba O 101_555 . 109_555 62.83(6) N
    O Ba O 101_555 . 111_555 62.83(6) N
    O Ba O 101_555 . 202_555 57.15(6) N
    O Ba O 101_555 . 209_555 119.9695(13) N
    O Ba O 101_555 . 210_555 90.053(3)   N
    O Ba O 101_555 . 303_555 57.15(6) N
    O Ba O 101_555 . 310_555 90.053(3)   N
    O Ba O 109_555 . 111_555 62.83(6) N
    O Ba O 109_555 . 202_555 119.9695(13) N
    O Ba O 109_555 . 209_555 176.52(7) N
    O Ba O 109_555 . 210_555 119.9695(13) N
    O Ba O 109_555 . 303_555 90.053(2)   N
    O Ba O 109_555 . 310_555 57.15(6) N
    O Ba O 111_555 . 202_555 90.053(3)   N
    O Ba O 111_555 . 209_555 119.9695(13) N
    O Ba O 111_555 . 210_555 57.15(6) N
    O Ba O 111_555 . 303_555 119.9695(13) N
    O Ba O 111_555 . 310_555 119.9695(15) N
    O Ba O 202_555 . 209_555 62.83(6) N
    O Ba O 202_555 . 210_555 62.83(6) N
    O Ba O 202_555 . 303_555 57.15(6) N
    O Ba O 202_555 . 310_555 119.9695(15) N
    O Ba O 209_555 . 210_555 62.83(6) N
    O Ba O 209_555 . 303_555 90.053(2)   N
    O Ba O 209_555 . 310_555 119.9695(13) N
    O Ba O 210_555 . 303_555 119.9695(13) N
    O Ba O 210_555 . 310_555 176.52(7) N
    O Ba O 303_555 . 310_555 62.83(6) N
    Ba Bi3 Ba 1_555 . 4_555 70.5288(13) N
    Ba Bi3 Ba 1_555 . 5_555 70.5288(7) N
    Ba Bi3 Ba 1_555 . 6_555 70.5288(7) N
    Ba Bi3 Ba 1_555 . 7_555 109.4712(7) N
    Ba Bi3 Ba 1_555 . 8_555 109.4712(13) N
    Ba Bi3 Ba 1_555 . 9_555 109.4712(7) N
    Ba Bi3 Ba 1_555 . -1_555 180.0 N
    Ba Bi3 O 1_555 . 1_555 54.7356(3)   N
    Ba Bi3 O 1_555 . 2_555 54.7356(3)   N
    Ba Bi3 O 1_555 . 3_555 54.7356(7) N
    Ba Bi3 O 1_555 . 9_555 125.2644(7) N
    Ba Bi3 O 1_555 . 10_555 125.2644(3)   N
    Ba Bi3 O 1_555 . 11_555 125.2644(3)   N
    Ba Bi3 Ba 4_555 . 5_555 109.4712(7) N
    Ba Bi3 Ba 4_555 . 6_555 109.4712(7) N
    Ba Bi3 Ba 4_555 . 7_555 70.5288(7) N
    Ba Bi3 Ba 4_555 . 8_555 180.0 N
    Ba Bi3 Ba 4_555 . 9_555 70.5288(7) N
    Ba Bi3 Ba 4_555 . -1_555 109.4712(13) N
    Ba Bi3 O 4_555 . 1_555 54.7356(3)   N
    Ba Bi3 O 4_555 . 2_555 54.7356(3)   N
    Ba Bi3 O 4_555 . 3_555 125.2644(7) N
    Ba Bi3 O 4_555 . 9_555 54.7356(7) N
    Ba Bi3 O 4_555 . 10_555 125.2644(3)   N
    Ba Bi3 O 4_555 . 11_555 125.2644(3)   N
    Ba Bi3 Ba 5_555 . 6_555 109.4712(13) N
    Ba Bi3 Ba 5_555 . 7_555 70.5288(13) N
    Ba Bi3 Ba 5_555 . 8_555 70.5288(7) N
    Ba Bi3 Ba 5_555 . 9_555 180.0 N
    Ba Bi3 Ba 5_555 . -1_555 109.4712(7) N
    Ba Bi3 O 5_555 . 1_555 125.2644(3)   N
    Ba Bi3 O 5_555 . 2_555 54.7356(3)   N
    Ba Bi3 O 5_555 . 3_555 54.7356(7) N
    Ba Bi3 O 5_555 . 9_555 125.2644(7) N
    Ba Bi3 O 5_555 . 10_555 54.7356(3)   N
    Ba Bi3 O 5_555 . 11_555 125.2644(3)   N
    Ba Bi3 Ba 6_555 . 7_555 180.0 N
    Ba Bi3 Ba 6_555 . 8_555 70.5288(7) N
    Ba Bi3 Ba 6_555 . 9_555 70.5288(13) N
    Ba Bi3 Ba 6_555 . -1_555 109.4712(7) N
    Ba Bi3 O 6_555 . 1_555 54.7356(3)   N
    Ba Bi3 O 6_555 . 2_555 125.2644(3)   N
    Ba Bi3 O 6_555 . 3_555 54.7356(7) N
    Ba Bi3 O 6_555 . 9_555 125.2644(7) N
    Ba Bi3 O 6_555 . 10_555 125.2644(3)   N
    Ba Bi3 O 6_555 . 11_555 54.7356(3)   N
    Ba Bi3 Ba 7_555 . 8_555 109.4712(7) N
    Ba Bi3 Ba 7_555 . 9_555 109.4712(13) N
    Ba Bi3 Ba 7_555 . -1_555 70.5288(7) N
    Ba Bi3 O 7_555 . 1_555 125.2644(3)   N
    Ba Bi3 O 7_555 . 2_555 54.7356(3)   N
    Ba Bi3 O 7_555 . 3_555 125.2644(7) N
    Ba Bi3 O 7_555 . 9_555 54.7356(7) N
    Ba Bi3 O 7_555 . 10_555 54.7356(3)   N
    Ba Bi3 O 7_555 . 11_555 125.2644(3)   N
    Ba Bi3 Ba 8_555 . 9_555 109.4712(7) N
    Ba Bi3 Ba 8_555 . -1_555 70.5288(13) N
    Ba Bi3 O 8_555 . 1_555 125.2644(3)   N
    Ba Bi3 O 8_555 . 2_555 125.2644(3)   N
    Ba Bi3 O 8_555 . 3_555 54.7356(7) N
    Ba Bi3 O 8_555 . 9_555 125.2644(7) N
    Ba Bi3 O 8_555 . 10_555 54.7356(3)   N
    Ba Bi3 O 8_555 . 11_555 54.7356(3)   N
    Ba Bi3 Ba 9_555 . -1_555 70.5288(7) N
    Ba Bi3 O 9_555 . 1_555 54.7356(3)   N
    Ba Bi3 O 9_555 . 2_555 125.2644(3)   N
    Ba Bi3 O 9_555 . 3_555 125.2644(7) N
    Ba Bi3 O 9_555 . 9_555 54.7356(7) N
    Ba Bi3 O 9_555 . 10_555 125.2644(3)   N
    Ba Bi3 O 9_555 . 11_555 54.7356(3)   N
    Ba Bi3 O -1_555 . 1_555 125.2644(3)   N
    Ba Bi3 O -1_555 . 2_555 125.2644(3)   N
    Ba Bi3 O -1_555 . 3_555 125.2644(7) N
    Ba Bi3 O -1_555 . 9_555 54.7356(7) N
    Ba Bi3 O -1_555 . 10_555 54.7356(3)   N
    Ba Bi3 O -1_555 . 11_555 54.7356(3)   N
    O Bi3 O 1_555 . 2_555 90.0 N
    O Bi3 O 1_555 . 3_555 90.0 N
    O Bi3 O 1_555 . 9_555 90.0 N
    O Bi3 O 1_555 . 10_555 180.0 N
    O Bi3 O 1_555 . 11_555 90.0 N
    O Bi3 O 2_555 . 3_555 90.0 N
    O Bi3 O 2_555 . 9_555 90.0 N
    O Bi3 O 2_555 . 10_555 90.0 N
    O Bi3 O 2_555 . 11_555 180.0 N
    O Bi3 O 3_555 . 9_555 180.0 N
    O Bi3 O 3_555 . 10_555 90.0 N
    O Bi3 O 3_555 . 11_555 90.0 N
    O Bi3 O 9_555 . 10_555 90.0 N
    O Bi3 O 9_555 . 11_555 90.0 N
    O Bi3 O 10_555 . 11_555 90.0 N
    Ba Bi5 Ba 1_555 . 4_556 70.5288(13) N
    Ba Bi5 Ba 1_555 . 5_655 70.5288(7) N
    Ba Bi5 Ba 1_555 . 6_565 70.5288(7) N
    Ba Bi5 Ba 1_555 . 7_656 109.4712(7) N
    Ba Bi5 Ba 1_555 . 8_665 109.4712(13) N
    Ba Bi5 Ba 1_555 . 9_566 109.4712(7) N
    Ba Bi5 Ba 1_555 . -1_666 180.0 N
    Ba Bi5 O 1_555 . 101_555 54.7356(3)   N
    Ba Bi5 O 1_555 . 110_655 125.2644(3)   N
    Ba Bi5 O 1_555 . 202_555 54.7356(3)   N
    Ba Bi5 O 1_555 . 211_565 125.2644(3)   N
    Ba Bi5 O 1_555 . 303_555 54.7356(7) N
    Ba Bi5 O 1_555 . 309_556 125.2644(7) N
    Ba Bi5 Ba 4_556 . 5_655 109.4712(7) N
    Ba Bi5 Ba 4_556 . 6_565 109.4712(7) N
    Ba Bi5 Ba 4_556 . 7_656 70.5288(7) N
    Ba Bi5 Ba 4_556 . 8_665 180.0 N
    Ba Bi5 Ba 4_556 . 9_566 70.5288(7) N
    Ba Bi5 Ba 4_556 . -1_666 109.4712(13) N
    Ba Bi5 O 4_556 . 101_555 54.7356(3)   N
    Ba Bi5 O 4_556 . 110_655 125.2644(3)   N
    Ba Bi5 O 4_556 . 202_555 54.7356(3)   N
    Ba Bi5 O 4_556 . 211_565 125.2644(3)   N
    Ba Bi5 O 4_556 . 303_555 125.2644(7) N
    Ba Bi5 O 4_556 . 309_556 54.7356(7) N
    Ba Bi5 Ba 5_655 . 6_565 109.4712(13) N
    Ba Bi5 Ba 5_655 . 7_656 70.5288(13) N
    Ba Bi5 Ba 5_655 . 8_665 70.5288(7) N
    Ba Bi5 Ba 5_655 . 9_566 180.0 N
    Ba Bi5 Ba 5_655 . -1_666 109.4712(7) N
    Ba Bi5 O 5_655 . 101_555 125.2644(3)   N
    Ba Bi5 O 5_655 . 110_655 54.7356(3)   N
    Ba Bi5 O 5_655 . 202_555 54.7356(3)   N
    Ba Bi5 O 5_655 . 211_565 125.2644(3)   N
    Ba Bi5 O 5_655 . 303_555 54.7356(7) N
    Ba Bi5 O 5_655 . 309_556 125.2644(7) N
    Ba Bi5 Ba 6_565 . 7_656 180.0 N
    Ba Bi5 Ba 6_565 . 8_665 70.5288(7) N
    Ba Bi5 Ba 6_565 . 9_566 70.5288(13) N
    Ba Bi5 Ba 6_565 . -1_666 109.4712(7) N
    Ba Bi5 O 6_565 . 101_555 54.7356(3)   N
    Ba Bi5 O 6_565 . 110_655 125.2644(3)   N
    Ba Bi5 O 6_565 . 202_555 125.2644(3)   N
    Ba Bi5 O 6_565 . 211_565 54.7356(3)   N
    Ba Bi5 O 6_565 . 303_555 54.7356(7) N
    Ba Bi5 O 6_565 . 309_556 125.2644(7) N
    Ba Bi5 Ba 7_656 . 8_665 109.4712(7) N
    Ba Bi5 Ba 7_656 . 9_566 109.4712(13) N
    Ba Bi5 Ba 7_656 . -1_666 70.5288(7) N
    Ba Bi5 O 7_656 . 101_555 125.2644(3)   N
    Ba Bi5 O 7_656 . 110_655 54.7356(3)   N
    Ba Bi5 O 7_656 . 202_555 54.7356(3)   N
    Ba Bi5 O 7_656 . 211_565 125.2644(3)   N
    Ba Bi5 O 7_656 . 303_555 125.2644(7) N
    Ba Bi5 O 7_656 . 309_556 54.7356(7) N
    Ba Bi5 Ba 8_665 . 9_566 109.4712(7) N
    Ba Bi5 Ba 8_665 . -1_666 70.5288(13) N
    Ba Bi5 O 8_665 . 101_555 125.2644(3)   N
    Ba Bi5 O 8_665 . 110_655 54.7356(3)   N
    Ba Bi5 O 8_665 . 202_555 125.2644(3)   N
    Ba Bi5 O 8_665 . 211_565 54.7356(3)   N
    Ba Bi5 O 8_665 . 303_555 54.7356(7) N
    Ba Bi5 O 8_665 . 309_556 125.2644(7) N
    Ba Bi5 Ba 9_566 . -1_666 70.5288(7) N
    Ba Bi5 O 9_566 . 101_555 54.7356(3)   N
    Ba Bi5 O 9_566 . 110_655 125.2644(3)   N
    Ba Bi5 O 9_566 . 202_555 125.2644(3)   N
    Ba Bi5 O 9_566 . 211_565 54.7356(3)   N
    Ba Bi5 O 9_566 . 303_555 125.2644(7) N
    Ba Bi5 O 9_566 . 309_556 54.7356(7) N
    Ba Bi5 O -1_666 . 101_555 125.2644(3)   N
    Ba Bi5 O -1_666 . 110_655 54.7356(3)   N
    Ba Bi5 O -1_666 . 202_555 125.2644(3)   N
    Ba Bi5 O -1_666 . 211_565 54.7356(3)   N
    Ba Bi5 O -1_666 . 303_555 125.2644(7) N
    Ba Bi5 O -1_666 . 309_556 54.7356(7) N
    O Bi5 O 101_555 . 110_655 180.0 N
    O Bi5 O 101_555 . 202_555 90.0 N
    O Bi5 O 101_555 . 211_565 90.0 N
    O Bi5 O 101_555 . 303_555 90.0 N
    O Bi5 O 101_555 . 309_556 90.0 N
    O Bi5 O 110_655 . 202_555 90.0 N
    O Bi5 O 110_655 . 211_565 90.0 N
    O Bi5 O 110_655 . 303_555 90.0 N
    O Bi5 O 110_655 . 309_556 90.0 N
    O Bi5 O 202_555 . 211_565 180.0 N
    O Bi5 O 202_555 . 303_555 90.0 N
    O Bi5 O 202_555 . 309_556 90.0 N
    O Bi5 O 211_565 . 303_555 90.0 N
    O Bi5 O 211_565 . 309_556 90.0 N
    O Bi5 O 303_555 . 309_556 180.0 N
    Ba O Ba 1_555 . 4_555 89.947(3)   N
    Ba O Ba 1_555 . 6_555 89.947(3)   N
    Ba O Ba 1_555 . 9_555 176.52(7) N
    Ba O Bi3 1_555 . 1_555 88.26(4) N
    Ba O Bi5 1_555 . 101_544 91.74(4) N
    Ba O Ba 4_555 . 6_555 176.52(7) N
    Ba O Ba 4_555 . 9_555 89.947(3)   N
    Ba O Bi3 4_555 . 1_555 88.26(4) N
    Ba O Bi5 4_555 . 101_544 91.74(4) N
    Ba O Ba 6_555 . 9_555 89.947(3)   N
    Ba O Bi3 6_555 . 1_555 88.26(4) N
    Ba O Bi5 6_555 . 101_544 91.74(4) N
    Ba O Bi3 9_555 . 1_555 88.26(4) N
    Ba O Bi5 9_555 . 101_544 91.74(4) N
    Bi3 O Bi5 1_555 . 101_544 180.0 N
data_BA2BISBO6_4K_phase_1
_chemical_formula_sum     "Ba2 Bi O6 Sb"
_chemical_formula_weight     701.38
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     "I 2/m"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 -x,+y,-z
    -1 -x,-y,-z
    -2 +x,-y,+z
    101 +x+1/2,+y+1/2,+z+1/2
    102 -x+1/2,+y+1/2,-z+1/2
    -101 -x+1/2,-y+1/2,-z+1/2
    -102 +x+1/2,-y+1/2,+z+1/2
_cell_length_a     6.06777(12)
_cell_length_b     6.01862(11)
_cell_length_c     8.50818(16)
_cell_angle_alpha     90.0
_cell_angle_beta     90.2161(10)
_cell_angle_gamma     90.0
_cell_volume     310.713(16)
_cell_formula_units_Z     2
loop_
    _atom_type_symbol
    Ba
    Bi
    Sb
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.5025(4) 0.0 0.2484(4) 0.0047(3)   Uiso 1.0
    Bi Bi 0.0 0.0 0.0 0.0034(4) Uiso 1.0
    Sb Sb 0.0 0.0 0.5 0.0107(7) Uiso 1.0
    O O1 0.0512(3)   0.0 0.2685(3)   0.01131 Uani 1.0
    O O2 0.2697(2)   0.2660(3)   -0.02718(15) 0.01184 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . 2_655 4.227(6) N
    Ba Ba . 2_656 4.281(6) N
    Ba Ba . 102_545 4.295(3)   N
    Ba Ba . 102_555 4.295(3)   N
    Ba Ba . 102_645 4.252(3)   N
    Ba Ba . 102_655 4.252(3)   N
    Ba Bi . 1_555 3.703(3)   N
    Ba Bi . 1_655 3.692(3)   N
    Ba Bi . 101_545 3.6930(19) N
    Ba Bi . 101_555 3.6930(19) N
    Ba Sb . 1_555 3.732(3)   N
    Ba Sb . 1_655 3.694(3)   N
    Ba Sb . 101_544 3.6774(18) N
    Ba Sb . 101_554 3.6774(18) N
    Ba O1 . 1_555 2.744(3)   N
    Ba O1 . 1_655 3.333(3)   N
    Ba O1 . 102_545 3.0302(4) N
    Ba O1 . 102_555 3.0302(4) N
    Ba O2 . 1_555 3.167(3)   N
    Ba O2 . 2_655 2.835(3)   N
    Ba O2 . -1_655 2.835(3)   N
    Ba O2 . -2_555 3.167(3)   N
    Ba O2 . 101_545 2.870(3)   N
    Ba O2 . 102_545 3.220(3)   N
    Ba O2 . -101_444 3.220(3)   N
    Ba O2 . -102_444 2.870(3)   N
    Bi Ba . 1_455 3.692(3)   N
    Bi Ba . 1_555 3.703(3)   N
    Bi Ba . 2_555 3.703(3)   N
    Bi Ba . 2_655 3.692(3)   N
    Bi Ba . 101_444 3.6930(19) N
    Bi Ba . 101_454 3.6930(19) N
    Bi Ba . 102_545 3.6930(19) N
    Bi Ba . 102_555 3.6930(19) N
    Bi O1 . 1_555 2.304(2)   N
    Bi O1 . 2_555 2.304(2)   N
    Bi O2 . 1_555 2.3015(14) N
    Bi O2 . 2_555 2.3015(14) N
    Bi O2 . -1_555 2.3015(14) N
    Bi O2 . -2_555 2.3015(14) N
    Sb Ba . 1_455 3.694(3)   N
    Sb Ba . 1_555 3.732(3)   N
    Sb Ba . 2_556 3.732(3)   N
    Sb Ba . 2_656 3.694(3)   N
    Sb Ba . 101_445 3.6774(18) N
    Sb Ba . 101_455 3.6774(18) N
    Sb Ba . 102_545 3.6774(18) N
    Sb Ba . 102_555 3.6774(18) N
    Sb O1 . 1_555 1.995(2)   N
    Sb O1 . 2_556 1.995(2)   N
    Sb O2 . 101_445 1.9969(14) N
    Sb O2 . 102_545 1.9969(14) N
    Sb O2 . -101_444 1.9969(14) N
    Sb O2 . -102_344 1.9969(14) N
    O1 Ba . 1_455 3.333(3)   N
    O1 Ba . 1_555 2.744(3)   N
    O1 Ba . 102_545 3.0302(4) N
    O1 Ba . 102_555 3.0302(4) N
    O1 Bi . 1_555 2.304(2)   N
    O1 Sb . 1_555 1.995(2)   N
    O2 Ba . 1_555 3.167(3)   N
    O2 Ba . 2_655 2.835(3)   N
    O2 Ba . 101_454 2.870(3)   N
    O2 Ba . 102_555 3.220(3)   N
    O2 Bi . 1_555 2.3015(14) N
    O2 Sb . 101_554 1.9969(14) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba 2_655 . 2_656 179.1971(18) N
    Ba Ba Ba 2_655 . 102_545 90.22(10) N
    Ba Ba Ba 2_655 . 102_555 90.22(10) N
    Ba Ba Ba 2_655 . 102_645 90.49(9) N
    Ba Ba Ba 2_655 . 102_655 90.49(9) N
    Ba Ba Bi 2_655 . 1_555 55.01(6) N
    Ba Ba Bi 2_655 . 1_655 55.26(6) N
    Ba Ba Bi 2_655 . 101_545 125.42(4) N
    Ba Ba Bi 2_655 . 101_555 125.42(4) N
    Ba Ba Sb 2_655 . 1_555 124.81(10) N
    Ba Ba Sb 2_655 . 1_655 125.60(9) N
    Ba Ba Sb 2_655 . 101_544 54.92(4) N
    Ba Ba Sb 2_655 . 101_554 54.92(4) N
    Ba Ba O1 2_655 . 1_555 93.38(10) N
    Ba Ba O1 2_655 . 102_545 87.26(8) N
    Ba Ba O1 2_655 . 102_555 87.26(8) N
    Ba Ba O2 2_655 . 2_655 48.52(6) N
    Ba Ba O2 2_655 . -1_655 48.52(6) N
    Ba Ba O2 2_655 . 101_545 131.84(8) N
    Ba Ba O2 2_655 . -102_555 131.84(8) N
    Ba Ba Ba 2_656 . 102_545 89.20(9) N
    Ba Ba Ba 2_656 . 102_555 89.20(9) N
    Ba Ba Ba 2_656 . 102_645 90.07(10) N
    Ba Ba Ba 2_656 . 102_655 90.07(10) N
    Ba Ba Bi 2_656 . 1_555 124.19(9) N
    Ba Ba Bi 2_656 . 1_655 125.54(10) N
    Ba Ba Bi 2_656 . 101_545 54.58(4) N
    Ba Ba Bi 2_656 . 101_555 54.58(4) N
    Ba Ba Sb 2_656 . 1_555 54.38(6) N
    Ba Ba Sb 2_656 . 1_655 55.21(6) N
    Ba Ba Sb 2_656 . 101_544 125.08(4) N
    Ba Ba Sb 2_656 . 101_554 125.08(4) N
    Ba Ba O1 2_656 . 1_555 85.82(9) N
    Ba Ba O1 2_656 . 102_545 92.66(8) N
    Ba Ba O1 2_656 . 102_555 92.66(8) N
    Ba Ba O2 2_656 . 2_655 132.01(9) N
    Ba Ba O2 2_656 . -1_655 132.01(9) N
    Ba Ba O2 2_656 . 101_545 48.76(7) N
    Ba Ba O2 2_656 . -102_555 48.76(7) N
    Ba Ba Ba 102_545 . 102_555 88.97(9) N
    Ba Ba Ba 102_545 . 102_645 90.461(2)   N
    Ba Ba Ba 102_545 . 102_655 179.09(14) N
    Ba Ba Bi 102_545 . 1_555 54.39(6) N
    Ba Ba Bi 102_545 . 1_655 126.05(8) N
    Ba Ba Bi 102_545 . 101_545 54.62(4) N
    Ba Ba Bi 102_545 . 101_555 124.26(10) N
    Ba Ba Sb 102_545 . 1_555 53.99(5) N
    Ba Ba Sb 102_545 . 1_655 125.30(9) N
    Ba Ba Sb 102_545 . 101_544 55.17(4) N
    Ba Ba Sb 102_545 . 101_554 125.15(11) N
    Ba Ba O1 102_545 . 1_555 44.57(4) N
    Ba Ba O1 102_545 . 102_545 39.46(3)   N
    Ba Ba O1 102_545 . 102_555 128.29(9) N
    Ba Ba O2 102_545 . 2_655 138.55(15) N
    Ba Ba O2 102_545 . -1_655 87.60(6) N
    Ba Ba O2 102_545 . 101_545 93.05(6) N
    Ba Ba O2 102_545 . -102_555 137.83(14) N
    Ba Ba Ba 102_555 . 102_645 179.09(14) N
    Ba Ba Ba 102_555 . 102_655 90.461(2)   N
    Ba Ba Bi 102_555 . 1_555 54.39(6) N
    Ba Ba Bi 102_555 . 1_655 126.05(8) N
    Ba Ba Bi 102_555 . 101_545 124.26(10) N
    Ba Ba Bi 102_555 . 101_555 54.62(4) N
    Ba Ba Sb 102_555 . 1_555 53.99(5) N
    Ba Ba Sb 102_555 . 1_655 125.30(9) N
    Ba Ba Sb 102_555 . 101_544 125.15(11) N
    Ba Ba Sb 102_555 . 101_554 55.17(4) N
    Ba Ba O1 102_555 . 1_555 44.57(4) N
    Ba Ba O1 102_555 . 102_545 128.29(9) N
    Ba Ba O1 102_555 . 102_555 39.46(3)   N
    Ba Ba O2 102_555 . 2_655 87.60(6) N
    Ba Ba O2 102_555 . -1_655 138.55(15) N
    Ba Ba O2 102_555 . 101_545 137.83(14) N
    Ba Ba O2 102_555 . -102_555 93.05(6) N
    Ba Ba Ba 102_645 . 102_655 90.10(9) N
    Ba Ba Bi 102_645 . 1_555 125.71(8) N
    Ba Ba Bi 102_645 . 1_655 54.86(6) N
    Ba Ba Bi 102_645 . 101_545 54.83(4) N
    Ba Ba Bi 102_645 . 101_555 125.27(11) N
    Ba Ba Sb 102_645 . 1_555 125.11(8) N
    Ba Ba Sb 102_645 . 1_655 54.59(6) N
    Ba Ba Sb 102_645 . 101_544 54.96(4) N
    Ba Ba Sb 102_645 . 101_554 125.74(10) N
    Ba Ba O1 102_645 . 1_555 134.81(5) N
    Ba Ba O1 102_645 . 102_545 51.19(3)   N
    Ba Ba O1 102_645 . 102_555 141.16(9) N
    Ba Ba O2 102_645 . 2_655 93.30(9) N
    Ba Ba O2 102_645 . -1_655 42.12(5) N
    Ba Ba O2 102_645 . 101_545 41.49(5) N
    Ba Ba O2 102_645 . -102_555 86.89(10) N
    Ba Ba Bi 102_655 . 1_555 125.71(8) N
    Ba Ba Bi 102_655 . 1_655 54.86(6) N
    Ba Ba Bi 102_655 . 101_545 125.27(11) N
    Ba Ba Bi 102_655 . 101_555 54.83(4) N
    Ba Ba Sb 102_655 . 1_555 125.11(8) N
    Ba Ba Sb 102_655 . 1_655 54.59(6) N
    Ba Ba Sb 102_655 . 101_544 125.74(10) N
    Ba Ba Sb 102_655 . 101_554 54.96(4) N
    Ba Ba O1 102_655 . 1_555 134.81(5) N
    Ba Ba O1 102_655 . 102_545 141.16(9) N
    Ba Ba O1 102_655 . 102_555 51.19(3)   N
    Ba Ba O2 102_655 . 2_655 42.12(5) N
    Ba Ba O2 102_655 . -1_655 93.30(9) N
    Ba Ba O2 102_655 . 101_545 86.89(10) N
    Ba Ba O2 102_655 . -102_555 41.49(5) N
    Bi Ba Bi 1_555 . 1_655 110.27(8) N
    Bi Ba Bi 1_555 . 101_545 109.01(4) N
    Bi Ba Bi 1_555 . 101_555 109.01(4) N
    Bi Ba Sb 1_555 . 1_555 69.80(4) N
    Bi Ba Sb 1_555 . 1_655 179.3935(9) N
    Bi Ba Sb 1_555 . 101_544 70.76(5) N
    Bi Ba Sb 1_555 . 101_554 70.76(5) N
    Bi Ba O1 1_555 . 1_555 38.37(5) N
    Bi Ba O1 1_555 . 102_545 83.39(7) N
    Bi Ba O1 1_555 . 102_555 83.39(7) N
    Bi Ba O2 1_555 . 2_655 91.35(8) N
    Bi Ba O2 1_555 . -1_655 91.35(8) N
    Bi Ba O2 1_555 . 101_545 147.31(5) N
    Bi Ba O2 1_555 . -102_555 147.31(5) N
    Bi Ba Bi 1_655 . 101_545 109.69(4) N
    Bi Ba Bi 1_655 . 101_555 109.69(4) N
    Bi Ba Sb 1_655 . 1_555 179.92870(10) N
    Bi Ba Sb 1_655 . 1_655 70.33(4) N
    Bi Ba Sb 1_655 . 101_544 70.88(4) N
    Bi Ba Sb 1_655 . 101_554 70.88(4) N
    Bi Ba O1 1_655 . 1_555 148.64(11) N
    Bi Ba O1 1_655 . 102_545 93.48(6) N
    Bi Ba O1 1_655 . 102_555 93.48(6) N
    Bi Ba O2 1_655 . 2_655 38.55(4) N
    Bi Ba O2 1_655 . -1_655 38.55(4) N
    Bi Ba O2 1_655 . 101_545 85.39(5) N
    Bi Ba O2 1_655 . -102_555 85.39(5) N
    Bi Ba Bi 101_545 . 101_555 109.15(8) N
    Bi Ba Sb 101_545 . 1_555 70.27(4) N
    Bi Ba Sb 101_545 . 1_655 70.69(5) N
    Bi Ba Sb 101_545 . 101_544 70.5056(15) N
    Bi Ba Sb 101_545 . 101_554 179.4246(7) N
    Bi Ba O1 101_545 . 1_555 87.58(5) N
    Bi Ba O1 101_545 . 102_545 38.52(5) N
    Bi Ba O1 101_545 . 102_555 146.73(12) N
    Bi Ba O2 101_545 . 2_655 148.00(7) N
    Bi Ba O2 101_545 . -1_655 85.86(4) N
    Bi Ba O2 101_545 . 101_545 38.55(3)   N
    Bi Ba O2 101_545 . -102_555 91.02(9) N
    Bi Ba Sb 101_555 . 1_555 70.27(4) N
    Bi Ba Sb 101_555 . 1_655 70.69(5) N
    Bi Ba Sb 101_555 . 101_544 179.4243(7) N
    Bi Ba Sb 101_555 . 101_554 70.5056(15) N
    Bi Ba O1 101_555 . 1_555 87.58(5) N
    Bi Ba O1 101_555 . 102_545 146.73(12) N
    Bi Ba O1 101_555 . 102_555 38.52(5) N
    Bi Ba O2 101_555 . 2_655 85.86(4) N
    Bi Ba O2 101_555 . -1_655 148.00(7) N
    Bi Ba O2 101_555 . 101_545 91.02(9) N
    Bi Ba O2 101_555 . -102_555 38.55(3)   N
    Sb Ba Sb 1_555 . 1_655 109.59(8) N
    Sb Ba Sb 1_555 . 101_544 109.16(4) N
    Sb Ba Sb 1_555 . 101_554 109.16(4) N
    Sb Ba O1 1_555 . 1_555 31.43(5) N
    Sb Ba O1 1_555 . 102_545 86.53(6) N
    Sb Ba O1 1_555 . 102_555 86.53(6) N
    Sb Ba O2 1_555 . 2_655 141.48(5) N
    Sb Ba O2 1_555 . -1_655 141.48(5) N
    Sb Ba O2 1_555 . 101_545 94.55(8) N
    Sb Ba O2 1_555 . -102_555 94.55(8) N
    Sb Ba Sb 1_655 . 101_544 109.55(4) N
    Sb Ba Sb 1_655 . 101_554 109.55(4) N
    Sb Ba O1 1_655 . 1_555 141.02(10) N
    Sb Ba O1 1_655 . 102_545 96.60(7) N
    Sb Ba O1 1_655 . 102_555 96.60(7) N
    Sb Ba O2 1_655 . 2_655 89.15(6) N
    Sb Ba O2 1_655 . -1_655 89.15(6) N
    Sb Ba O2 1_655 . 101_545 32.44(5) N
    Sb Ba O2 1_655 . -102_555 32.44(5) N
    Sb Ba Sb 101_544 . 101_554 109.83(8) N
    Sb Ba O1 101_544 . 1_555 91.94(6) N
    Sb Ba O1 101_544 . 102_545 32.84(5) N
    Sb Ba O1 101_544 . 102_555 141.74(12) N
    Sb Ba O2 101_544 . 2_655 94.67(9) N
    Sb Ba O2 101_544 . -1_655 32.56(3)   N
    Sb Ba O2 101_544 . 101_545 88.96(3)   N
    Sb Ba O2 101_544 . -102_555 141.73(8) N
    Sb Ba O1 101_554 . 1_555 91.94(6) N
    Sb Ba O1 101_554 . 102_545 141.74(12) N
    Sb Ba O1 101_554 . 102_555 32.84(5) N
    Sb Ba O2 101_554 . 2_655 32.56(3)   N
    Sb Ba O2 101_554 . -1_655 94.67(9) N
    Sb Ba O2 101_554 . 101_545 141.73(8) N
    Sb Ba O2 101_554 . -102_555 88.96(3)   N
    O1 Ba O1 1_555 . 102_545 84.03(5) N
    O1 Ba O1 1_555 . 102_555 84.03(5) N
    O1 Ba O2 1_555 . 2_655 122.04(9) N
    O1 Ba O2 1_555 . -1_655 122.04(9) N
    O1 Ba O2 1_555 . 101_545 121.34(9) N
    O1 Ba O2 1_555 . -102_555 121.34(9) N
    O1 Ba O1 102_545 . 102_555 166.53(12) N
    O1 Ba O2 102_545 . 2_655 125.58(12) N
    O1 Ba O2 102_545 . -1_655 57.33(5) N
    O1 Ba O2 102_545 . 101_545 66.70(5) N
    O1 Ba O2 102_545 . -102_555 125.41(12) N
    O1 Ba O2 102_555 . 2_655 57.33(5) N
    O1 Ba O2 102_555 . -1_655 125.58(12) N
    O1 Ba O2 102_555 . 101_545 125.41(12) N
    O1 Ba O2 102_555 . -102_555 66.70(5) N
    O2 Ba O2 2_655 . -1_655 68.76(10) N
    O2 Ba O2 2_655 . 101_545 116.31(8) N
    O2 Ba O2 2_655 . -102_555 83.62(5) N
    O2 Ba O2 -1_655 . 101_545 83.62(5) N
    O2 Ba O2 -1_655 . -102_555 116.31(8) N
    O2 Ba O2 101_545 . -102_555 58.79(10) N
    Ba Bi Ba 1_455 . 1_555 110.27(8) N
    Ba Bi Ba 1_455 . 2_555 69.73(8) N
    Ba Bi Ba 1_455 . 2_655 180.0 N
    Ba Bi Ba 1_455 . 101_444 109.69(4) N
    Ba Bi Ba 1_455 . 101_454 109.69(4) N
    Ba Bi Ba 1_455 . 102_545 70.31(4) N
    Ba Bi Ba 1_455 . 102_555 70.31(4) N
    Ba Bi O1 1_455 . 1_555 62.60(6) N
    Ba Bi O1 1_455 . 2_555 117.40(6) N
    Ba Bi O2 1_455 . 1_555 129.86(4) N
    Ba Bi O2 1_455 . 2_555 50.14(4) N
    Ba Bi O2 1_455 . -1_555 50.14(4) N
    Ba Bi O2 1_455 . -2_555 129.86(4) N
    Ba Bi Ba 1_555 . 2_555 179.9802 N
    Ba Bi Ba 1_555 . 2_655 69.73(8) N
    Ba Bi Ba 1_555 . 101_444 109.01(4) N
    Ba Bi Ba 1_555 . 101_454 109.01(4) N
    Ba Bi Ba 1_555 . 102_545 70.99(4) N
    Ba Bi Ba 1_555 . 102_555 70.99(4) N
    Ba Bi O1 1_555 . 1_555 47.67(6) N
    Ba Bi O1 1_555 . 2_555 132.33(6) N
    Ba Bi O2 1_555 . 1_555 58.21(4) N
    Ba Bi O2 1_555 . 2_555 121.79(4) N
    Ba Bi O2 1_555 . -1_555 121.79(4) N
    Ba Bi O2 1_555 . -2_555 58.21(4) N
    Ba Bi Ba 2_555 . 2_655 110.27(8) N
    Ba Bi Ba 2_555 . 101_444 70.99(4) N
    Ba Bi Ba 2_555 . 101_454 70.99(4) N
    Ba Bi Ba 2_555 . 102_545 109.01(4) N
    Ba Bi Ba 2_555 . 102_555 109.01(4) N
    Ba Bi O1 2_555 . 1_555 132.33(6) N
    Ba Bi O1 2_555 . 2_555 47.67(6) N
    Ba Bi O2 2_555 . 1_555 121.79(4) N
    Ba Bi O2 2_555 . 2_555 58.21(4) N
    Ba Bi O2 2_555 . -1_555 58.21(4) N
    Ba Bi O2 2_555 . -2_555 121.79(4) N
    Ba Bi Ba 2_655 . 101_444 70.31(4) N
    Ba Bi Ba 2_655 . 101_454 70.31(4) N
    Ba Bi Ba 2_655 . 102_545 109.69(4) N
    Ba Bi Ba 2_655 . 102_555 109.69(4) N
    Ba Bi O1 2_655 . 1_555 117.40(6) N
    Ba Bi O1 2_655 . 2_555 62.60(6) N
    Ba Bi O2 2_655 . 1_555 50.14(4) N
    Ba Bi O2 2_655 . 2_555 129.86(4) N
    Ba Bi O2 2_655 . -1_555 129.86(4) N
    Ba Bi O2 2_655 . -2_555 50.14(4) N
    Ba Bi Ba 101_444 . 101_454 109.15(8) N
    Ba Bi Ba 101_444 . 102_545 70.85(8) N
    Ba Bi Ba 101_444 . 102_555 180.0 N
    Ba Bi O1 101_444 . 1_555 125.01(4) N
    Ba Bi O1 101_444 . 2_555 54.99(4) N
    Ba Bi O2 101_444 . 1_555 120.27(7) N
    Ba Bi O2 101_444 . 2_555 129.01(4) N
    Ba Bi O2 101_444 . -1_555 59.73(7) N
    Ba Bi O2 101_444 . -2_555 50.99(4) N
    Ba Bi Ba 101_454 . 102_545 180.0 N
    Ba Bi Ba 101_454 . 102_555 70.85(8) N
    Ba Bi O1 101_454 . 1_555 125.01(4) N
    Ba Bi O1 101_454 . 2_555 54.99(4) N
    Ba Bi O2 101_454 . 1_555 50.99(4) N
    Ba Bi O2 101_454 . 2_555 59.73(7) N
    Ba Bi O2 101_454 . -1_555 129.01(4) N
    Ba Bi O2 101_454 . -2_555 120.27(7) N
    Ba Bi Ba 102_545 . 102_555 109.15(8) N
    Ba Bi O1 102_545 . 1_555 54.99(4) N
    Ba Bi O1 102_545 . 2_555 125.01(4) N
    Ba Bi O2 102_545 . 1_555 129.01(4) N
    Ba Bi O2 102_545 . 2_555 120.27(7) N
    Ba Bi O2 102_545 . -1_555 50.99(4) N
    Ba Bi O2 102_545 . -2_555 59.73(7) N
    Ba Bi O1 102_555 . 1_555 54.99(4) N
    Ba Bi O1 102_555 . 2_555 125.01(4) N
    Ba Bi O2 102_555 . 1_555 59.73(7) N
    Ba Bi O2 102_555 . 2_555 50.99(4) N
    Ba Bi O2 102_555 . -1_555 120.27(7) N
    Ba Bi O2 102_555 . -2_555 129.01(4) N
    O1 Bi O1 1_555 . 2_555 180.0 N
    O1 Bi O2 1_555 . 1_555 90.37(5) N
    O1 Bi O2 1_555 . 2_555 89.63(5) N
    O1 Bi O2 1_555 . -1_555 89.63(5) N
    O1 Bi O2 1_555 . -2_555 90.37(5) N
    O1 Bi O2 2_555 . 1_555 89.63(5) N
    O1 Bi O2 2_555 . 2_555 90.37(5) N
    O1 Bi O2 2_555 . -1_555 90.37(5) N
    O1 Bi O2 2_555 . -2_555 89.63(5) N
    O2 Bi O2 1_555 . 2_555 91.87(10) N
    O2 Bi O2 1_555 . -1_555 179.9604 N
    O2 Bi O2 1_555 . -2_555 88.13(10) N
    O2 Bi O2 2_555 . -1_555 88.13(10) N
    O2 Bi O2 2_555 . -2_555 180.0 N
    O2 Bi O2 -1_555 . -2_555 91.87(10) N
    Ba Sb Ba 1_455 . 1_555 109.59(8) N
    Ba Sb Ba 1_455 . 2_556 70.41(8) N
    Ba Sb Ba 1_455 . 2_656 180.0 N
    Ba Sb Ba 1_455 . 101_445 109.55(4) N
    Ba Sb Ba 1_455 . 101_455 109.55(4) N
    Ba Sb Ba 1_455 . 102_545 70.45(4) N
    Ba Sb Ba 1_455 . 102_555 70.45(4) N
    Ba Sb O1 1_455 . 1_555 63.76(7) N
    Ba Sb O1 1_455 . 2_556 116.24(7) N
    Ba Sb O2 1_455 . 101_445 50.43(5) N
    Ba Sb O2 1_455 . 102_545 129.57(5) N
    Ba Sb O2 1_455 . -101_555 129.57(5) N
    Ba Sb O2 1_455 . -102_455 50.43(5) N
    Ba Sb Ba 1_555 . 2_556 180.0 N
    Ba Sb Ba 1_555 . 2_656 70.41(8) N
    Ba Sb Ba 1_555 . 101_445 109.16(4) N
    Ba Sb Ba 1_555 . 101_455 109.16(4) N
    Ba Sb Ba 1_555 . 102_545 70.84(4) N
    Ba Sb Ba 1_555 . 102_555 70.84(4) N
    Ba Sb O1 1_555 . 1_555 45.83(7) N
    Ba Sb O1 1_555 . 2_556 134.17(7) N
    Ba Sb O2 1_555 . 101_445 120.42(5) N
    Ba Sb O2 1_555 . 102_545 59.58(5) N
    Ba Sb O2 1_555 . -101_555 59.58(5) N
    Ba Sb O2 1_555 . -102_455 120.42(5) N
    Ba Sb Ba 2_556 . 2_656 109.59(8) N
    Ba Sb Ba 2_556 . 101_445 70.84(4) N
    Ba Sb Ba 2_556 . 101_455 70.84(4) N
    Ba Sb Ba 2_556 . 102_545 109.16(4) N
    Ba Sb Ba 2_556 . 102_555 109.16(4) N
    Ba Sb O1 2_556 . 1_555 134.17(7) N
    Ba Sb O1 2_556 . 2_556 45.83(7) N
    Ba Sb O2 2_556 . 101_445 59.58(5) N
    Ba Sb O2 2_556 . 102_545 120.42(5) N
    Ba Sb O2 2_556 . -101_555 120.42(5) N
    Ba Sb O2 2_556 . -102_455 59.58(5) N
    Ba Sb Ba 2_656 . 101_445 70.45(4) N
    Ba Sb Ba 2_656 . 101_455 70.45(4) N
    Ba Sb Ba 2_656 . 102_545 109.55(4) N
    Ba Sb Ba 2_656 . 102_555 109.55(4) N
    Ba Sb O1 2_656 . 1_555 116.24(7) N
    Ba Sb O1 2_656 . 2_556 63.76(7) N
    Ba Sb O2 2_656 . 101_445 129.57(5) N
    Ba Sb O2 2_656 . 102_545 50.43(5) N
    Ba Sb O2 2_656 . -101_555 50.43(5) N
    Ba Sb O2 2_656 . -102_455 129.57(5) N
    Ba Sb Ba 101_445 . 101_455 109.83(8) N
    Ba Sb Ba 101_445 . 102_545 70.17(8) N
    Ba Sb Ba 101_445 . 102_555 180.0 N
    Ba Sb O1 101_445 . 1_555 124.55(4) N
    Ba Sb O1 101_445 . 2_556 55.45(4) N
    Ba Sb O2 101_445 . 101_445 59.38(5) N
    Ba Sb O2 101_445 . 102_545 49.83(7) N
    Ba Sb O2 101_445 . -101_555 120.62(5) N
    Ba Sb O2 101_445 . -102_455 130.17(7) N
    Ba Sb Ba 101_455 . 102_545 179.972 N
    Ba Sb Ba 101_455 . 102_555 70.17(8) N
    Ba Sb O1 101_455 . 1_555 124.55(4) N
    Ba Sb O1 101_455 . 2_556 55.45(4) N
    Ba Sb O2 101_455 . 101_445 130.17(7) N
    Ba Sb O2 101_455 . 102_545 120.62(5) N
    Ba Sb O2 101_455 . -101_555 49.83(7) N
    Ba Sb O2 101_455 . -102_455 59.38(5) N
    Ba Sb Ba 102_545 . 102_555 109.83(8) N
    Ba Sb O1 102_545 . 1_555 55.45(4) N
    Ba Sb O1 102_545 . 2_556 124.55(4) N
    Ba Sb O2 102_545 . 101_445 49.83(7) N
    Ba Sb O2 102_545 . 102_545 59.38(5) N
    Ba Sb O2 102_545 . -101_555 130.17(7) N
    Ba Sb O2 102_545 . -102_455 120.62(5) N
    Ba Sb O1 102_555 . 1_555 55.45(4) N
    Ba Sb O1 102_555 . 2_556 124.55(4) N
    Ba Sb O2 102_555 . 101_445 120.62(5) N
    Ba Sb O2 102_555 . 102_545 130.17(7) N
    Ba Sb O2 102_555 . -101_555 59.38(5) N
    Ba Sb O2 102_555 . -102_455 49.83(7) N
    O1 Sb O1 1_555 . 2_556 180.0 N
    O1 Sb O2 1_555 . 101_445 89.83(6) N
    O1 Sb O2 1_555 . 102_545 90.17(6) N
    O1 Sb O2 1_555 . -101_555 90.17(6) N
    O1 Sb O2 1_555 . -102_455 89.83(6) N
    O1 Sb O2 2_556 . 101_445 90.17(6) N
    O1 Sb O2 2_556 . 102_545 89.83(6) N
    O1 Sb O2 2_556 . -101_555 89.83(6) N
    O1 Sb O2 2_556 . -102_455 90.17(6) N
    O2 Sb O2 101_445 . 102_545 90.28(11) N
    O2 Sb O2 101_445 . -101_555 179.9802 N
    O2 Sb O2 101_445 . -102_455 89.72(11) N
    O2 Sb O2 102_545 . -101_555 89.72(11) N
    O2 Sb O2 102_545 . -102_455 180.0 N
    O2 Sb O2 -101_555 . -102_455 90.28(11) N
    Ba O1 Ba 1_555 . 102_545 95.97(5) N
    Ba O1 Ba 1_555 . 102_555 95.97(5) N
    Ba O1 Bi 1_555 . 1_555 93.96(8) N
    Ba O1 Sb 1_555 . 1_555 102.74(9) N
    Ba O1 Ba 102_545 . 102_555 166.53(12) N
    Ba O1 Bi 102_545 . 1_555 86.50(8) N
    Ba O1 Sb 102_545 . 1_555 91.71(8) N
    Ba O1 Bi 102_555 . 1_555 86.50(8) N
    Ba O1 Sb 102_555 . 1_555 91.71(8) N
    Bi O1 Sb 1_555 . 1_555 163.30(9) N
    Ba O2 Ba 2_655 . 101_454 96.38(5) N
    Ba O2 Bi 2_655 . 1_555 91.30(5) N
    Ba O2 Sb 2_655 . 101_554 97.61(7) N
    Ba O2 Bi 101_454 . 1_555 90.46(5) N
    Ba O2 Sb 101_454 . 101_554 97.14(8) N
    Bi O2 Sb 1_555 . 101_554 167.55(7) N
data_BA2BISBO6_325K_phase_1
_chemical_formula_sum     "Ba2 Bi O6 Sb"
_chemical_formula_weight     701.38
_symmetry_cell_setting     trigonal
_symmetry_space_group_name_H-M     "R -3"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 -y,x-y,+z
    3 y-x,-x,+z
    -1 -x,-y,-z
    -2 +y,y-x,-z
    -3 x-y,+x,-z
    101 +x+1/3,+y+2/3,+z+2/3
    102 -y+1/3,x-y+2/3,+z+2/3
    103 y-x+1/3,-x+2/3,+z+2/3
    -101 -x+2/3,-y+1/3,-z+1/3
    -102 +y+2/3,y-x+1/3,-z+1/3
    -103 x-y+2/3,+x+1/3,-z+1/3
    201 +x+2/3,+y+1/3,+z+1/3
    202 -y+2/3,x-y+1/3,+z+1/3
    203 y-x+2/3,-x+1/3,+z+1/3
    -201 -x+1/3,-y+2/3,-z+2/3
    -202 +y+1/3,y-x+2/3,-z+2/3
    -203 x-y+1/3,+x+2/3,-z+2/3
_cell_length_a     6.05716(8)
_cell_length_b     6.05716
_cell_length_c     14.7813(2)
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     120.0
_cell_volume     469.658(17)
_cell_formula_units_Z     3
loop_
    _atom_type_symbol
    Ba
    Bi
    Sb
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba BA1 0.0 0.0 0.2511(2)   0.0135(3)   Uiso 1.0
    Bi BI2 0.0 0.0 0.0 0.0102(4) Uiso 1.0
    Sb SB3 0.0 0.0 0.5 0.0111(6) Uiso 1.0
    O O4 0.51973(18) -0.0241(2)   0.24381(10) 0.0256 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    BA1 BA1 . -101_334 4.260(4) N
    BA1 BA1 . -101_434 4.260(4) N
    BA1 BA1 . -101_444 4.260(4) N
    BA1 BA1 . -201_334 4.296(4) N
    BA1 BA1 . -201_344 4.296(4) N
    BA1 BA1 . -201_444 4.296(4) N
    BA1 BI2 . 1_555 3.711(3)   N
    BA1 BI2 . 201_445 3.7025(11) N
    BA1 BI2 . 201_455 3.7025(11) N
    BA1 BI2 . 201_555 3.7025(11) N
    BA1 SB3 . 1_555 3.680(3)   N
    BA1 SB3 . 101_444 3.7130(12) N
    BA1 SB3 . 101_544 3.7130(12) N
    BA1 SB3 . 101_554 3.7130(12) N
    BA1 O4 . 1_455 2.8410(8) N
    BA1 O4 . 1_555 3.2253(9) N
    BA1 O4 . 2_545 2.8410(8) N
    BA1 O4 . 2_555 3.2253(9) N
    BA1 O4 . 3_555 3.2253(9) N
    BA1 O4 . 3_665 2.8410(8) N
    BA1 O4 . -101_434 3.019(3)   N
    BA1 O4 . -102_444 3.019(3)   N
    BA1 O4 . -103_334 3.019(3)   N
    BA1 O4 . -201_444 3.042(3)   N
    BA1 O4 . -202_344 3.042(3)   N
    BA1 O4 . -203_334 3.042(3)   N
    BI2 BA1 . 1_555 3.711(3)   N
    BI2 BA1 . -1_555 3.711(3)   N
    BI2 BA1 . 101_444 3.7025(11) N
    BI2 BA1 . 101_544 3.7025(11) N
    BI2 BA1 . 101_554 3.7025(11) N
    BI2 BA1 . -201_334 3.7025(11) N
    BI2 BA1 . -201_344 3.7025(11) N
    BI2 BA1 . -201_444 3.7025(11) N
    BI2 O4 . 101_444 2.3029(8) N
    BI2 O4 . 102_544 2.3029(8) N
    BI2 O4 . 103_554 2.3029(8) N
    BI2 O4 . -201_444 2.3029(8) N
    BI2 O4 . -202_344 2.3029(8) N
    BI2 O4 . -203_334 2.3029(8) N
    SB3 BA1 . 1_555 3.680(3)   N
    SB3 BA1 . -1_556 3.680(3)   N
    SB3 BA1 . -101_334 3.7130(12) N
    SB3 BA1 . -101_434 3.7130(12) N
    SB3 BA1 . -101_444 3.7130(12) N
    SB3 BA1 . 201_445 3.7130(12) N
    SB3 BA1 . 201_455 3.7130(12) N
    SB3 BA1 . 201_555 3.7130(12) N
    SB3 O4 . -101_434 1.9922(8) N
    SB3 O4 . -102_444 1.9922(8) N
    SB3 O4 . -103_334 1.9922(8) N
    SB3 O4 . 201_455 1.9922(8) N
    SB3 O4 . 202_445 1.9922(8) N
    SB3 O4 . 203_555 1.9922(8) N
    O4 BA1 . 1_555 3.2253(9) N
    O4 BA1 . 1_655 2.8410(8) N
    O4 BA1 . -101_434 3.019(3)   N
    O4 BA1 . -201_444 3.042(3)   N
    O4 BI2 . 201_555 2.3029(8) N
    O4 SB3 . 101_544 1.9922(8) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    BA1 BA1 BA1 -101_334 . -101_434 90.63(11) N
    BA1 BA1 BA1 -101_334 . -101_444 90.63(11) N
    BA1 BA1 BA1 -101_334 . -201_334 89.8536(16) N
    BA1 BA1 BA1 -101_334 . -201_344 89.8536(16) N
    BA1 BA1 BA1 -101_334 . -201_444 179.3107(18) N
    BA1 BA1 BI2 -101_334 . 1_555 124.82(8) N
    BA1 BA1 BI2 -101_334 . 201_445 54.88(3)   N
    BA1 BA1 BI2 -101_334 . 201_455 54.88(3)   N
    BA1 BA1 BI2 -101_334 . 201_555 126.01(13) N
    BA1 BA1 SB3 -101_334 . 1_555 55.18(8) N
    BA1 BA1 SB3 -101_334 . 101_444 54.45(3)   N
    BA1 BA1 SB3 -101_334 . 101_544 125.34(2)   N
    BA1 BA1 SB3 -101_334 . 101_554 125.34(2)   N
    BA1 BA1 O4 -101_334 . 1_455 45.05(4) N
    BA1 BA1 O4 -101_334 . 2_545 93.33(4) N
    BA1 BA1 O4 -101_334 . 3_665 135.49(11) N
    BA1 BA1 O4 -101_334 . -101_434 41.75(5) N
    BA1 BA1 O4 -101_334 . -102_444 87.76(11) N
    BA1 BA1 O4 -101_334 . -103_334 49.05(6) N
    BA1 BA1 O4 -101_334 . -201_444 131.01(5) N
    BA1 BA1 O4 -101_334 . -202_344 86.68(4) N
    BA1 BA1 O4 -101_334 . -203_334 138.26(5) N
    BA1 BA1 BA1 -101_434 . -101_444 90.63(11) N
    BA1 BA1 BA1 -101_434 . -201_334 89.8536(16) N
    BA1 BA1 BA1 -101_434 . -201_344 179.3104(18) N
    BA1 BA1 BA1 -101_434 . -201_444 89.8536(16) N
    BA1 BA1 BI2 -101_434 . 1_555 124.82(8) N
    BA1 BA1 BI2 -101_434 . 201_445 54.88(3)   N
    BA1 BA1 BI2 -101_434 . 201_455 126.01(13) N
    BA1 BA1 BI2 -101_434 . 201_555 54.88(3)   N
    BA1 BA1 SB3 -101_434 . 1_555 55.18(8) N
    BA1 BA1 SB3 -101_434 . 101_444 125.34(2)   N
    BA1 BA1 SB3 -101_434 . 101_544 54.45(3)   N
    BA1 BA1 SB3 -101_434 . 101_554 125.34(2)   N
    BA1 BA1 O4 -101_434 . 1_455 135.49(11) N
    BA1 BA1 O4 -101_434 . 2_545 45.05(4) N
    BA1 BA1 O4 -101_434 . 3_665 93.33(4) N
    BA1 BA1 O4 -101_434 . -101_434 49.05(6) N
    BA1 BA1 O4 -101_434 . -102_444 41.75(5) N
    BA1 BA1 O4 -101_434 . -103_334 87.76(11) N
    BA1 BA1 O4 -101_434 . -201_444 138.26(5) N
    BA1 BA1 O4 -101_434 . -202_344 131.01(5) N
    BA1 BA1 O4 -101_434 . -203_334 86.68(4) N
    BA1 BA1 BA1 -101_444 . -201_334 179.3102(18) N
    BA1 BA1 BA1 -101_444 . -201_344 89.8536(16) N
    BA1 BA1 BA1 -101_444 . -201_444 89.8536(16) N
    BA1 BA1 BI2 -101_444 . 1_555 124.82(8) N
    BA1 BA1 BI2 -101_444 . 201_445 126.01(13) N
    BA1 BA1 BI2 -101_444 . 201_455 54.88(3)   N
    BA1 BA1 BI2 -101_444 . 201_555 54.88(3)   N
    BA1 BA1 SB3 -101_444 . 1_555 55.18(8) N
    BA1 BA1 SB3 -101_444 . 101_444 125.34(2)   N
    BA1 BA1 SB3 -101_444 . 101_544 125.34(2)   N
    BA1 BA1 SB3 -101_444 . 101_554 54.45(3)   N
    BA1 BA1 O4 -101_444 . 1_455 93.33(4) N
    BA1 BA1 O4 -101_444 . 2_545 135.49(11) N
    BA1 BA1 O4 -101_444 . 3_665 45.05(4) N
    BA1 BA1 O4 -101_444 . -101_434 87.76(11) N
    BA1 BA1 O4 -101_444 . -102_444 49.05(6) N
    BA1 BA1 O4 -101_444 . -103_334 41.75(5) N
    BA1 BA1 O4 -101_444 . -201_444 86.68(4) N
    BA1 BA1 O4 -101_444 . -202_344 138.26(5) N
    BA1 BA1 O4 -101_444 . -203_334 131.01(5) N
    BA1 BA1 BA1 -201_334 . -201_344 89.66(11) N
    BA1 BA1 BA1 -201_334 . -201_444 89.66(11) N
    BA1 BA1 BI2 -201_334 . 1_555 54.49(7) N
    BA1 BA1 BI2 -201_334 . 201_445 54.68(2)   N
    BA1 BA1 BI2 -201_334 . 201_455 125.11(3)   N
    BA1 BA1 BI2 -201_334 . 201_555 125.11(3)   N
    BA1 BA1 SB3 -201_334 . 1_555 125.51(7) N
    BA1 BA1 SB3 -201_334 . 101_444 54.65(3)   N
    BA1 BA1 SB3 -201_334 . 101_544 54.65(3)   N
    BA1 BA1 SB3 -201_334 . 101_554 124.86(12) N
    BA1 BA1 O4 -201_334 . 1_455 86.67(4) N
    BA1 BA1 O4 -201_334 . 2_545 44.96(4) N
    BA1 BA1 O4 -201_334 . 3_665 134.42(13) N
    BA1 BA1 O4 -201_334 . -101_434 92.93(4) N
    BA1 BA1 O4 -201_334 . -102_444 131.47(6) N
    BA1 BA1 O4 -201_334 . -103_334 138.77(6) N
    BA1 BA1 O4 -201_334 . -201_444 92.63(12) N
    BA1 BA1 O4 -201_334 . -202_344 41.29(5) N
    BA1 BA1 O4 -201_334 . -203_334 48.54(6) N
    BA1 BA1 BA1 -201_344 . -201_444 89.66(11) N
    BA1 BA1 BI2 -201_344 . 1_555 54.49(7) N
    BA1 BA1 BI2 -201_344 . 201_445 125.11(3)   N
    BA1 BA1 BI2 -201_344 . 201_455 54.68(2)   N
    BA1 BA1 BI2 -201_344 . 201_555 125.11(3)   N
    BA1 BA1 SB3 -201_344 . 1_555 125.51(7) N
    BA1 BA1 SB3 -201_344 . 101_444 54.65(3)   N
    BA1 BA1 SB3 -201_344 . 101_544 124.86(12) N
    BA1 BA1 SB3 -201_344 . 101_554 54.65(3)   N
    BA1 BA1 O4 -201_344 . 1_455 44.96(4) N
    BA1 BA1 O4 -201_344 . 2_545 134.42(13) N
    BA1 BA1 O4 -201_344 . 3_665 86.67(4) N
    BA1 BA1 O4 -201_344 . -101_434 131.47(6) N
    BA1 BA1 O4 -201_344 . -102_444 138.77(6) N
    BA1 BA1 O4 -201_344 . -103_334 92.93(4) N
    BA1 BA1 O4 -201_344 . -201_444 41.29(5) N
    BA1 BA1 O4 -201_344 . -202_344 48.54(6) N
    BA1 BA1 O4 -201_344 . -203_334 92.63(12) N
    BA1 BA1 BI2 -201_444 . 1_555 54.49(7) N
    BA1 BA1 BI2 -201_444 . 201_445 125.11(3)   N
    BA1 BA1 BI2 -201_444 . 201_455 125.11(3)   N
    BA1 BA1 BI2 -201_444 . 201_555 54.68(2)   N
    BA1 BA1 SB3 -201_444 . 1_555 125.51(7) N
    BA1 BA1 SB3 -201_444 . 101_444 124.86(12) N
    BA1 BA1 SB3 -201_444 . 101_544 54.65(3)   N
    BA1 BA1 SB3 -201_444 . 101_554 54.65(3)   N
    BA1 BA1 O4 -201_444 . 1_455 134.42(13) N
    BA1 BA1 O4 -201_444 . 2_545 86.67(4) N
    BA1 BA1 O4 -201_444 . 3_665 44.96(4) N
    BA1 BA1 O4 -201_444 . -101_434 138.77(6) N
    BA1 BA1 O4 -201_444 . -102_444 92.93(4) N
    BA1 BA1 O4 -201_444 . -103_334 131.47(6) N
    BA1 BA1 O4 -201_444 . -201_444 48.54(6) N
    BA1 BA1 O4 -201_444 . -202_344 92.63(12) N
    BA1 BA1 O4 -201_444 . -203_334 41.29(5) N
    BI2 BA1 BI2 1_555 . 201_445 109.17(5) N
    BI2 BA1 BI2 1_555 . 201_455 109.17(5) N
    BI2 BA1 BI2 1_555 . 201_555 109.17(5) N
    BI2 BA1 SB3 1_555 . 1_555 180.0 N
    BI2 BA1 SB3 1_555 . 101_444 70.37(5) N
    BI2 BA1 SB3 1_555 . 101_544 70.37(5) N
    BI2 BA1 SB3 1_555 . 101_554 70.37(5) N
    BI2 BA1 O4 1_555 . 1_455 87.84(8) N
    BI2 BA1 O4 1_555 . 2_545 87.84(8) N
    BI2 BA1 O4 1_555 . 3_665 87.84(8) N
    BI2 BA1 O4 1_555 . -101_434 147.25(4) N
    BI2 BA1 O4 1_555 . -102_444 147.25(4) N
    BI2 BA1 O4 1_555 . -103_334 147.25(4) N
    BI2 BA1 O4 1_555 . -201_444 38.28(4) N
    BI2 BA1 O4 1_555 . -202_344 38.28(4) N
    BI2 BA1 O4 1_555 . -203_334 38.28(4) N
    BI2 BA1 BI2 201_445 . 201_455 109.77(5) N
    BI2 BA1 BI2 201_445 . 201_555 109.77(5) N
    BI2 BA1 SB3 201_445 . 1_555 70.83(5) N
    BI2 BA1 SB3 201_445 . 101_444 70.4605(5) N
    BI2 BA1 SB3 201_445 . 101_544 70.4605(5) N
    BI2 BA1 SB3 201_445 . 101_554 179.5407(8) N
    BI2 BA1 O4 201_445 . 1_455 88.30(4) N
    BI2 BA1 O4 201_445 . 2_545 38.45(2)   N
    BI2 BA1 O4 201_445 . 3_665 148.21(6) N
    BI2 BA1 O4 201_445 . -101_434 38.40(2)   N
    BI2 BA1 O4 201_445 . -102_444 85.72(6) N
    BI2 BA1 O4 201_445 . -103_334 91.70(7) N
    BI2 BA1 O4 201_445 . -201_444 147.13(9) N
    BI2 BA1 O4 201_445 . -202_344 85.12(2)   N
    BI2 BA1 O4 201_445 . -203_334 91.06(3)   N
    BI2 BA1 BI2 201_455 . 201_555 109.77(5) N
    BI2 BA1 SB3 201_455 . 1_555 70.83(5) N
    BI2 BA1 SB3 201_455 . 101_444 70.4605(5) N
    BI2 BA1 SB3 201_455 . 101_544 179.5407(8) N
    BI2 BA1 SB3 201_455 . 101_554 70.4605(5) N
    BI2 BA1 O4 201_455 . 1_455 38.45(2)   N
    BI2 BA1 O4 201_455 . 2_545 148.21(6) N
    BI2 BA1 O4 201_455 . 3_665 88.30(4) N
    BI2 BA1 O4 201_455 . -101_434 85.72(6) N
    BI2 BA1 O4 201_455 . -102_444 91.70(7) N
    BI2 BA1 O4 201_455 . -103_334 38.40(2)   N
    BI2 BA1 O4 201_455 . -201_444 85.12(2)   N
    BI2 BA1 O4 201_455 . -202_344 91.06(3)   N
    BI2 BA1 O4 201_455 . -203_334 147.13(9) N
    BI2 BA1 SB3 201_555 . 1_555 70.83(5) N
    BI2 BA1 SB3 201_555 . 101_444 179.5420(8) N
    BI2 BA1 SB3 201_555 . 101_544 70.4605(5) N
    BI2 BA1 SB3 201_555 . 101_554 70.4605(5) N
    BI2 BA1 O4 201_555 . 1_455 148.21(6) N
    BI2 BA1 O4 201_555 . 2_545 88.30(4) N
    BI2 BA1 O4 201_555 . 3_665 38.45(2)   N
    BI2 BA1 O4 201_555 . -101_434 91.70(7) N
    BI2 BA1 O4 201_555 . -102_444 38.40(2)   N
    BI2 BA1 O4 201_555 . -103_334 85.72(6) N
    BI2 BA1 O4 201_555 . -201_444 91.06(3)   N
    BI2 BA1 O4 201_555 . -202_344 147.13(9) N
    BI2 BA1 O4 201_555 . -203_334 85.12(2)   N
    SB3 BA1 SB3 1_555 . 101_444 109.63(5) N
    SB3 BA1 SB3 1_555 . 101_544 109.63(5) N
    SB3 BA1 SB3 1_555 . 101_554 109.63(5) N
    SB3 BA1 O4 1_555 . 1_455 92.16(8) N
    SB3 BA1 O4 1_555 . 2_545 92.16(8) N
    SB3 BA1 O4 1_555 . 3_665 92.16(8) N
    SB3 BA1 O4 1_555 . -101_434 32.75(4) N
    SB3 BA1 O4 1_555 . -102_444 32.75(4) N
    SB3 BA1 O4 1_555 . -103_334 32.75(4) N
    SB3 BA1 O4 1_555 . -201_444 141.72(4) N
    SB3 BA1 O4 1_555 . -202_344 141.72(4) N
    SB3 BA1 O4 1_555 . -203_334 141.72(4) N
    SB3 BA1 SB3 101_444 . 101_544 109.31(5) N
    SB3 BA1 SB3 101_444 . 101_554 109.31(5) N
    SB3 BA1 O4 101_444 . 1_455 32.01(2)   N
    SB3 BA1 O4 101_444 . 2_545 91.67(4) N
    SB3 BA1 O4 101_444 . 3_665 141.32(7) N
    SB3 BA1 O4 101_444 . -101_434 88.72(3)   N
    SB3 BA1 O4 101_444 . -102_444 142.06(9) N
    SB3 BA1 O4 101_444 . -103_334 94.68(3)   N
    SB3 BA1 O4 101_444 . -201_444 88.56(6) N
    SB3 BA1 O4 101_444 . -202_344 32.410(17) N
    SB3 BA1 O4 101_444 . -203_334 94.48(7) N
    SB3 BA1 SB3 101_544 . 101_554 109.31(5) N
    SB3 BA1 O4 101_544 . 1_455 141.32(7) N
    SB3 BA1 O4 101_544 . 2_545 32.01(2)   N
    SB3 BA1 O4 101_544 . 3_665 91.67(4) N
    SB3 BA1 O4 101_544 . -101_434 94.68(3)   N
    SB3 BA1 O4 101_544 . -102_444 88.72(3)   N
    SB3 BA1 O4 101_544 . -103_334 142.06(9) N
    SB3 BA1 O4 101_544 . -201_444 94.48(7) N
    SB3 BA1 O4 101_544 . -202_344 88.56(6) N
    SB3 BA1 O4 101_544 . -203_334 32.410(17) N
    SB3 BA1 O4 101_554 . 1_455 91.67(4) N
    SB3 BA1 O4 101_554 . 2_545 141.32(7) N
    SB3 BA1 O4 101_554 . 3_665 32.01(2)   N
    SB3 BA1 O4 101_554 . -101_434 142.06(9) N
    SB3 BA1 O4 101_554 . -102_444 94.68(3)   N
    SB3 BA1 O4 101_554 . -103_334 88.72(3)   N
    SB3 BA1 O4 101_554 . -201_444 32.410(17) N
    SB3 BA1 O4 101_554 . -202_344 94.48(7) N
    SB3 BA1 O4 101_554 . -203_334 88.56(6) N
    O4 BA1 O4 1_455 . 2_545 119.858(10) N
    O4 BA1 O4 1_455 . 3_665 119.858(10) N
    O4 BA1 O4 1_455 . -101_434 86.80(7) N
    O4 BA1 O4 1_455 . -102_444 122.52(11) N
    O4 BA1 O4 1_455 . -103_334 67.26(5) N
    O4 BA1 O4 1_455 . -201_444 86.25(7) N
    O4 BA1 O4 1_455 . -202_344 56.83(5) N
    O4 BA1 O4 1_455 . -203_334 121.57(10) N
    O4 BA1 O4 2_545 . 3_665 119.858(10) N
    O4 BA1 O4 2_545 . -101_434 67.26(5) N
    O4 BA1 O4 2_545 . -102_444 86.80(7) N
    O4 BA1 O4 2_545 . -103_334 122.52(11) N
    O4 BA1 O4 2_545 . -201_444 121.57(10) N
    O4 BA1 O4 2_545 . -202_344 86.25(7) N
    O4 BA1 O4 2_545 . -203_334 56.83(5) N
    O4 BA1 O4 3_665 . -101_434 122.52(11) N
    O4 BA1 O4 3_665 . -102_444 67.26(5) N
    O4 BA1 O4 3_665 . -103_334 86.80(7) N
    O4 BA1 O4 3_665 . -201_444 56.83(5) N
    O4 BA1 O4 3_665 . -202_344 121.57(10) N
    O4 BA1 O4 3_665 . -203_334 86.25(7) N
    O4 BA1 O4 -101_434 . -102_444 55.88(6) N
    O4 BA1 O4 -101_434 . -103_334 55.88(6) N
    O4 BA1 O4 -101_434 . -201_444 170.84(5) N
    O4 BA1 O4 -101_434 . -202_344 115.667(18) N
    O4 BA1 O4 -101_434 . -203_334 124.06(2)   N
    O4 BA1 O4 -102_444 . -103_334 55.88(6) N
    O4 BA1 O4 -102_444 . -201_444 124.06(2)   N
    O4 BA1 O4 -102_444 . -202_344 170.84(5) N
    O4 BA1 O4 -102_444 . -203_334 115.667(18) N
    O4 BA1 O4 -103_334 . -201_444 115.667(18) N
    O4 BA1 O4 -103_334 . -202_344 124.06(2)   N
    O4 BA1 O4 -103_334 . -203_334 170.84(5) N
    O4 BA1 O4 -201_444 . -202_344 64.90(7) N
    O4 BA1 O4 -201_444 . -203_334 64.90(7) N
    O4 BA1 O4 -202_344 . -203_334 64.90(7) N
    BA1 BI2 BA1 1_555 . -1_555 180.0 N
    BA1 BI2 BA1 1_555 . 101_444 109.17(5) N
    BA1 BI2 BA1 1_555 . 101_544 109.17(5) N
    BA1 BI2 BA1 1_555 . 101_554 109.17(5) N
    BA1 BI2 BA1 1_555 . -201_334 70.83(5) N
    BA1 BI2 BA1 1_555 . -201_344 70.83(5) N
    BA1 BI2 BA1 1_555 . -201_444 70.83(5) N
    BA1 BI2 O4 1_555 . 101_444 125.07(4) N
    BA1 BI2 O4 1_555 . 102_544 125.07(4) N
    BA1 BI2 O4 1_555 . 103_554 125.07(4) N
    BA1 BI2 O4 1_555 . -201_444 54.93(4) N
    BA1 BI2 O4 1_555 . -202_344 54.93(4) N
    BA1 BI2 O4 1_555 . -203_334 54.93(4) N
    BA1 BI2 BA1 -1_555 . 101_444 70.83(5) N
    BA1 BI2 BA1 -1_555 . 101_544 70.83(5) N
    BA1 BI2 BA1 -1_555 . 101_554 70.83(5) N
    BA1 BI2 BA1 -1_555 . -201_334 109.17(5) N
    BA1 BI2 BA1 -1_555 . -201_344 109.17(5) N
    BA1 BI2 BA1 -1_555 . -201_444 109.17(5) N
    BA1 BI2 O4 -1_555 . 101_444 54.93(4) N
    BA1 BI2 O4 -1_555 . 102_544 54.93(4) N
    BA1 BI2 O4 -1_555 . 103_554 54.93(4) N
    BA1 BI2 O4 -1_555 . -201_444 125.07(4) N
    BA1 BI2 O4 -1_555 . -202_344 125.07(4) N
    BA1 BI2 O4 -1_555 . -203_334 125.07(4) N
    BA1 BI2 BA1 101_444 . 101_544 109.77(5) N
    BA1 BI2 BA1 101_444 . 101_554 109.77(5) N
    BA1 BI2 BA1 101_444 . -201_334 70.23(5) N
    BA1 BI2 BA1 101_444 . -201_344 70.23(5) N
    BA1 BI2 BA1 101_444 . -201_444 180.0 N
    BA1 BI2 O4 101_444 . 101_444 59.68(3)   N
    BA1 BI2 O4 101_444 . 102_544 125.47(6) N
    BA1 BI2 O4 101_444 . 103_554 50.09(3)   N
    BA1 BI2 O4 101_444 . -201_444 120.32(3)   N
    BA1 BI2 O4 101_444 . -202_344 54.53(6) N
    BA1 BI2 O4 101_444 . -203_334 129.91(3)   N
    BA1 BI2 BA1 101_544 . 101_554 109.77(5) N
    BA1 BI2 BA1 101_544 . -201_334 70.23(5) N
    BA1 BI2 BA1 101_544 . -201_344 180.0 N
    BA1 BI2 BA1 101_544 . -201_444 70.23(5) N
    BA1 BI2 O4 101_544 . 101_444 50.09(3)   N
    BA1 BI2 O4 101_544 . 102_544 59.68(3)   N
    BA1 BI2 O4 101_544 . 103_554 125.47(6) N
    BA1 BI2 O4 101_544 . -201_444 129.91(3)   N
    BA1 BI2 O4 101_544 . -202_344 120.32(3)   N
    BA1 BI2 O4 101_544 . -203_334 54.53(6) N
    BA1 BI2 BA1 101_554 . -201_334 179.9802 N
    BA1 BI2 BA1 101_554 . -201_344 70.23(5) N
    BA1 BI2 BA1 101_554 . -201_444 70.23(5) N
    BA1 BI2 O4 101_554 . 101_444 125.47(6) N
    BA1 BI2 O4 101_554 . 102_544 50.09(3)   N
    BA1 BI2 O4 101_554 . 103_554 59.68(3)   N
    BA1 BI2 O4 101_554 . -201_444 54.53(6) N
    BA1 BI2 O4 101_554 . -202_344 129.91(3)   N
    BA1 BI2 O4 101_554 . -203_334 120.32(3)   N
    BA1 BI2 BA1 -201_334 . -201_344 109.77(5) N
    BA1 BI2 BA1 -201_334 . -201_444 109.77(5) N
    BA1 BI2 O4 -201_334 . 101_444 54.53(6) N
    BA1 BI2 O4 -201_334 . 102_544 129.91(3)   N
    BA1 BI2 O4 -201_334 . 103_554 120.32(3)   N
    BA1 BI2 O4 -201_334 . -201_444 125.47(6) N
    BA1 BI2 O4 -201_334 . -202_344 50.09(3)   N
    BA1 BI2 O4 -201_334 . -203_334 59.68(3)   N
    BA1 BI2 BA1 -201_344 . -201_444 109.77(5) N
    BA1 BI2 O4 -201_344 . 101_444 129.91(3)   N
    BA1 BI2 O4 -201_344 . 102_544 120.32(3)   N
    BA1 BI2 O4 -201_344 . 103_554 54.53(6) N
    BA1 BI2 O4 -201_344 . -201_444 50.09(3)   N
    BA1 BI2 O4 -201_344 . -202_344 59.68(3)   N
    BA1 BI2 O4 -201_344 . -203_334 125.47(6) N
    BA1 BI2 O4 -201_444 . 101_444 120.32(3)   N
    BA1 BI2 O4 -201_444 . 102_544 54.53(6) N
    BA1 BI2 O4 -201_444 . 103_554 129.91(3)   N
    BA1 BI2 O4 -201_444 . -201_444 59.68(3)   N
    BA1 BI2 O4 -201_444 . -202_344 125.47(6) N
    BA1 BI2 O4 -201_444 . -203_334 50.09(3)   N
    O4 BI2 O4 101_444 . 102_544 90.27(6) N
    O4 BI2 O4 101_444 . 103_554 90.27(6) N
    O4 BI2 O4 101_444 . -201_444 180.0 N
    O4 BI2 O4 101_444 . -202_344 89.73(6) N
    O4 BI2 O4 101_444 . -203_334 89.73(6) N
    O4 BI2 O4 102_544 . 103_554 90.27(6) N
    O4 BI2 O4 102_544 . -201_444 89.73(6) N
    O4 BI2 O4 102_544 . -202_344 180.0 N
    O4 BI2 O4 102_544 . -203_334 89.73(6) N
    O4 BI2 O4 103_554 . -201_444 89.73(6) N
    O4 BI2 O4 103_554 . -202_344 89.73(6) N
    O4 BI2 O4 103_554 . -203_334 179.972 N
    O4 BI2 O4 -201_444 . -202_344 90.27(6) N
    O4 BI2 O4 -201_444 . -203_334 90.27(6) N
    O4 BI2 O4 -202_344 . -203_334 90.27(6) N
    BA1 SB3 BA1 1_555 . -1_556 180.0 N
    BA1 SB3 BA1 1_555 . -101_334 70.37(5) N
    BA1 SB3 BA1 1_555 . -101_434 70.37(5) N
    BA1 SB3 BA1 1_555 . -101_444 70.37(5) N
    BA1 SB3 BA1 1_555 . 201_445 109.63(5) N
    BA1 SB3 BA1 1_555 . 201_455 109.63(5) N
    BA1 SB3 BA1 1_555 . 201_555 109.63(5) N
    BA1 SB3 O4 1_555 . -101_434 55.09(5) N
    BA1 SB3 O4 1_555 . -102_444 55.09(5) N
    BA1 SB3 O4 1_555 . -103_334 55.09(5) N
    BA1 SB3 O4 1_555 . 201_455 124.91(5) N
    BA1 SB3 O4 1_555 . 202_445 124.91(5) N
    BA1 SB3 O4 1_555 . 203_555 124.91(5) N
    BA1 SB3 BA1 -1_556 . -101_334 109.63(5) N
    BA1 SB3 BA1 -1_556 . -101_434 109.63(5) N
    BA1 SB3 BA1 -1_556 . -101_444 109.63(5) N
    BA1 SB3 BA1 -1_556 . 201_445 70.37(5) N
    BA1 SB3 BA1 -1_556 . 201_455 70.37(5) N
    BA1 SB3 BA1 -1_556 . 201_555 70.37(5) N
    BA1 SB3 O4 -1_556 . -101_434 124.91(5) N
    BA1 SB3 O4 -1_556 . -102_444 124.91(5) N
    BA1 SB3 O4 -1_556 . -103_334 124.91(5) N
    BA1 SB3 O4 -1_556 . 201_455 55.09(5) N
    BA1 SB3 O4 -1_556 . 202_445 55.09(5) N
    BA1 SB3 O4 -1_556 . 203_555 55.09(5) N
    BA1 SB3 BA1 -101_334 . -101_434 109.31(5) N
    BA1 SB3 BA1 -101_334 . -101_444 109.31(5) N
    BA1 SB3 BA1 -101_334 . 201_445 70.69(5) N
    BA1 SB3 BA1 -101_334 . 201_455 70.69(5) N
    BA1 SB3 BA1 -101_334 . 201_555 180.0 N
    BA1 SB3 O4 -101_334 . -101_434 49.11(4) N
    BA1 SB3 O4 -101_334 . -102_444 125.08(6) N
    BA1 SB3 O4 -101_334 . -103_334 60.20(3)   N
    BA1 SB3 O4 -101_334 . 201_455 130.89(4) N
    BA1 SB3 O4 -101_334 . 202_445 54.92(6) N
    BA1 SB3 O4 -101_334 . 203_555 119.80(3)   N
    BA1 SB3 BA1 -101_434 . -101_444 109.31(5) N
    BA1 SB3 BA1 -101_434 . 201_445 70.69(5) N
    BA1 SB3 BA1 -101_434 . 201_455 180.0 N
    BA1 SB3 BA1 -101_434 . 201_555 70.69(5) N
    BA1 SB3 O4 -101_434 . -101_434 60.20(3)   N
    BA1 SB3 O4 -101_434 . -102_444 49.11(4) N
    BA1 SB3 O4 -101_434 . -103_334 125.08(6) N
    BA1 SB3 O4 -101_434 . 201_455 119.80(3)   N
    BA1 SB3 O4 -101_434 . 202_445 130.89(4) N
    BA1 SB3 O4 -101_434 . 203_555 54.92(6) N
    BA1 SB3 BA1 -101_444 . 201_445 180.0 N
    BA1 SB3 BA1 -101_444 . 201_455 70.69(5) N
    BA1 SB3 BA1 -101_444 . 201_555 70.69(5) N
    BA1 SB3 O4 -101_444 . -101_434 125.08(6) N
    BA1 SB3 O4 -101_444 . -102_444 60.20(3)   N
    BA1 SB3 O4 -101_444 . -103_334 49.11(4) N
    BA1 SB3 O4 -101_444 . 201_455 54.92(6) N
    BA1 SB3 O4 -101_444 . 202_445 119.80(3)   N
    BA1 SB3 O4 -101_444 . 203_555 130.89(4) N
    BA1 SB3 BA1 201_445 . 201_455 109.31(5) N
    BA1 SB3 BA1 201_445 . 201_555 109.31(5) N
    BA1 SB3 O4 201_445 . -101_434 54.92(6) N
    BA1 SB3 O4 201_445 . -102_444 119.80(3)   N
    BA1 SB3 O4 201_445 . -103_334 130.89(4) N
    BA1 SB3 O4 201_445 . 201_455 125.08(6) N
    BA1 SB3 O4 201_445 . 202_445 60.20(3)   N
    BA1 SB3 O4 201_445 . 203_555 49.11(4) N
    BA1 SB3 BA1 201_455 . 201_555 109.31(5) N
    BA1 SB3 O4 201_455 . -101_434 119.80(3)   N
    BA1 SB3 O4 201_455 . -102_444 130.89(4) N
    BA1 SB3 O4 201_455 . -103_334 54.92(6) N
    BA1 SB3 O4 201_455 . 201_455 60.20(3)   N
    BA1 SB3 O4 201_455 . 202_445 49.11(4) N
    BA1 SB3 O4 201_455 . 203_555 125.08(6) N
    BA1 SB3 O4 201_555 . -101_434 130.89(4) N
    BA1 SB3 O4 201_555 . -102_444 54.92(6) N
    BA1 SB3 O4 201_555 . -103_334 119.80(3)   N
    BA1 SB3 O4 201_555 . 201_455 49.11(4) N
    BA1 SB3 O4 201_555 . 202_445 125.08(6) N
    BA1 SB3 O4 201_555 . 203_555 60.20(3)   N
    O4 SB3 O4 -101_434 . -102_444 90.49(7) N
    O4 SB3 O4 -101_434 . -103_334 90.49(7) N
    O4 SB3 O4 -101_434 . 201_455 180.0 N
    O4 SB3 O4 -101_434 . 202_445 89.51(7) N
    O4 SB3 O4 -101_434 . 203_555 89.51(7) N
    O4 SB3 O4 -102_444 . -103_334 90.49(7) N
    O4 SB3 O4 -102_444 . 201_455 89.51(7) N
    O4 SB3 O4 -102_444 . 202_445 180.0 N
    O4 SB3 O4 -102_444 . 203_555 89.51(7) N
    O4 SB3 O4 -103_334 . 201_455 89.51(7) N
    O4 SB3 O4 -103_334 . 202_445 89.51(7) N
    O4 SB3 O4 -103_334 . 203_555 179.9802 N
    O4 SB3 O4 201_455 . 202_445 90.49(7) N
    O4 SB3 O4 201_455 . 203_555 90.49(7) N
    O4 SB3 O4 202_445 . 203_555 90.49(7) N
    BA1 O4 BA1 1_655 . -101_434 93.20(7) N
    BA1 O4 BA1 1_655 . -201_444 93.75(7) N
    BA1 O4 BI2 1_655 . 201_555 91.46(5) N
    BA1 O4 SB3 1_655 . 101_544 98.87(5) N
    BA1 O4 BA1 -101_434 . -201_444 170.84(5) N
    BA1 O4 BI2 -101_434 . 201_555 87.07(5) N
    BA1 O4 SB3 -101_434 . 101_544 92.16(7) N
    BA1 O4 BI2 -201_444 . 201_555 86.79(7) N
    BA1 O4 SB3 -201_444 . 101_544 92.67(6) N
    BI2 O4 SB3 201_555 . 101_544 169.66(4) N
data_BA2BISBO6_570K_phase_1
_chemical_formula_sum     "Ba2 Bi O6 Sb"
_chemical_formula_weight     701.38
_symmetry_cell_setting     cubic
_symmetry_space_group_name_H-M     "F m -3 m"
loop_
    _symmetry_equiv_pos_site_id
    _symmetry_equiv_pos_as_xyz
    1 +x,+y,+z
    2 +z,+x,+y
    3 +y,+z,+x
    4 +x,+y,-z
    5 -z,+x,+y
    6 +y,-z,+x
    7 -z,+x,-y
    8 -y,-z,+x
    9 +y,-z,-x
    10 -x,+y,-z
    11 -z,-x,+y
    12 +x,-y,-z
    13 +y,+x,+z
    14 +z,+y,+x
    15 +x,+z,+y
    16 +y,+x,-z
    17 -z,+y,+x
    18 +x,-z,+y
    19 -z,+y,-x
    20 -x,-z,+y
    21 +x,-z,-y
    22 -y,+x,-z
    23 -z,-y,+x
    24 +y,-x,-z
    -1 -x,-y,-z
    -2 -z,-x,-y
    -3 -y,-z,-x
    -4 -x,-y,+z
    -5 +z,-x,-y
    -6 -y,+z,-x
    -7 +z,-x,+y
    -8 +y,+z,-x
    -9 -y,+z,+x
    -10 +x,-y,+z
    -11 +z,+x,-y
    -12 -x,+y,+z
    -13 -y,-x,-z
    -14 -z,-y,-x
    -15 -x,-z,-y
    -16 -y,-x,+z
    -17 +z,-y,-x
    -18 -x,+z,-y
    -19 +z,-y,+x
    -20 +x,+z,-y
    -21 -x,+z,+y
    -22 +y,-x,+z
    -23 +z,+y,-x
    -24 -y,+x,+z
    101 +x,+y+1/2,+z+1/2
    102 +z,+x+1/2,+y+1/2
    103 +y,+z+1/2,+x+1/2
    104 +x,+y+1/2,-z+1/2
    105 -z,+x+1/2,+y+1/2
    106 +y,-z+1/2,+x+1/2
    107 -z,+x+1/2,-y+1/2
    108 -y,-z+1/2,+x+1/2
    109 +y,-z+1/2,-x+1/2
    110 -x,+y+1/2,-z+1/2
    111 -z,-x+1/2,+y+1/2
    112 +x,-y+1/2,-z+1/2
    113 +y,+x+1/2,+z+1/2
    114 +z,+y+1/2,+x+1/2
    115 +x,+z+1/2,+y+1/2
    116 +y,+x+1/2,-z+1/2
    117 -z,+y+1/2,+x+1/2
    118 +x,-z+1/2,+y+1/2
    119 -z,+y+1/2,-x+1/2
    120 -x,-z+1/2,+y+1/2
    121 +x,-z+1/2,-y+1/2
    122 -y,+x+1/2,-z+1/2
    123 -z,-y+1/2,+x+1/2
    124 +y,-x+1/2,-z+1/2
    -101 -x,-y+1/2,-z+1/2
    -102 -z,-x+1/2,-y+1/2
    -103 -y,-z+1/2,-x+1/2
    -104 -x,-y+1/2,+z+1/2
    -105 +z,-x+1/2,-y+1/2
    -106 -y,+z+1/2,-x+1/2
    -107 +z,-x+1/2,+y+1/2
    -108 +y,+z+1/2,-x+1/2
    -109 -y,+z+1/2,+x+1/2
    -110 +x,-y+1/2,+z+1/2
    -111 +z,+x+1/2,-y+1/2
    -112 -x,+y+1/2,+z+1/2
    -113 -y,-x+1/2,-z+1/2
    -114 -z,-y+1/2,-x+1/2
    -115 -x,-z+1/2,-y+1/2
    -116 -y,-x+1/2,+z+1/2
    -117 +z,-y+1/2,-x+1/2
    -118 -x,+z+1/2,-y+1/2
    -119 +z,-y+1/2,+x+1/2
    -120 +x,+z+1/2,-y+1/2
    -121 -x,+z+1/2,+y+1/2
    -122 +y,-x+1/2,+z+1/2
    -123 +z,+y+1/2,-x+1/2
    -124 -y,+x+1/2,+z+1/2
    201 +x+1/2,+y,+z+1/2
    202 +z+1/2,+x,+y+1/2
    203 +y+1/2,+z,+x+1/2
    204 +x+1/2,+y,-z+1/2
    205 -z+1/2,+x,+y+1/2
    206 +y+1/2,-z,+x+1/2
    207 -z+1/2,+x,-y+1/2
    208 -y+1/2,-z,+x+1/2
    209 +y+1/2,-z,-x+1/2
    210 -x+1/2,+y,-z+1/2
    211 -z+1/2,-x,+y+1/2
    212 +x+1/2,-y,-z+1/2
    213 +y+1/2,+x,+z+1/2
    214 +z+1/2,+y,+x+1/2
    215 +x+1/2,+z,+y+1/2
    216 +y+1/2,+x,-z+1/2
    217 -z+1/2,+y,+x+1/2
    218 +x+1/2,-z,+y+1/2
    219 -z+1/2,+y,-x+1/2
    220 -x+1/2,-z,+y+1/2
    221 +x+1/2,-z,-y+1/2
    222 -y+1/2,+x,-z+1/2
    223 -z+1/2,-y,+x+1/2
    224 +y+1/2,-x,-z+1/2
    -201 -x+1/2,-y,-z+1/2
    -202 -z+1/2,-x,-y+1/2
    -203 -y+1/2,-z,-x+1/2
    -204 -x+1/2,-y,+z+1/2
    -205 +z+1/2,-x,-y+1/2
    -206 -y+1/2,+z,-x+1/2
    -207 +z+1/2,-x,+y+1/2
    -208 +y+1/2,+z,-x+1/2
    -209 -y+1/2,+z,+x+1/2
    -210 +x+1/2,-y,+z+1/2
    -211 +z+1/2,+x,-y+1/2
    -212 -x+1/2,+y,+z+1/2
    -213 -y+1/2,-x,-z+1/2
    -214 -z+1/2,-y,-x+1/2
    -215 -x+1/2,-z,-y+1/2
    -216 -y+1/2,-x,+z+1/2
    -217 +z+1/2,-y,-x+1/2
    -218 -x+1/2,+z,-y+1/2
    -219 +z+1/2,-y,+x+1/2
    -220 +x+1/2,+z,-y+1/2
    -221 -x+1/2,+z,+y+1/2
    -222 +y+1/2,-x,+z+1/2
    -223 +z+1/2,+y,-x+1/2
    -224 -y+1/2,+x,+z+1/2
    301 +x+1/2,+y+1/2,+z
    302 +z+1/2,+x+1/2,+y
    303 +y+1/2,+z+1/2,+x
    304 +x+1/2,+y+1/2,-z
    305 -z+1/2,+x+1/2,+y
    306 +y+1/2,-z+1/2,+x
    307 -z+1/2,+x+1/2,-y
    308 -y+1/2,-z+1/2,+x
    309 +y+1/2,-z+1/2,-x
    310 -x+1/2,+y+1/2,-z
    311 -z+1/2,-x+1/2,+y
    312 +x+1/2,-y+1/2,-z
    313 +y+1/2,+x+1/2,+z
    314 +z+1/2,+y+1/2,+x
    315 +x+1/2,+z+1/2,+y
    316 +y+1/2,+x+1/2,-z
    317 -z+1/2,+y+1/2,+x
    318 +x+1/2,-z+1/2,+y
    319 -z+1/2,+y+1/2,-x
    320 -x+1/2,-z+1/2,+y
    321 +x+1/2,-z+1/2,-y
    322 -y+1/2,+x+1/2,-z
    323 -z+1/2,-y+1/2,+x
    324 +y+1/2,-x+1/2,-z
    -301 -x+1/2,-y+1/2,-z
    -302 -z+1/2,-x+1/2,-y
    -303 -y+1/2,-z+1/2,-x
    -304 -x+1/2,-y+1/2,+z
    -305 +z+1/2,-x+1/2,-y
    -306 -y+1/2,+z+1/2,-x
    -307 +z+1/2,-x+1/2,+y
    -308 +y+1/2,+z+1/2,-x
    -309 -y+1/2,+z+1/2,+x
    -310 +x+1/2,-y+1/2,+z
    -311 +z+1/2,+x+1/2,-y
    -312 -x+1/2,+y+1/2,+z
    -313 -y+1/2,-x+1/2,-z
    -314 -z+1/2,-y+1/2,-x
    -315 -x+1/2,-z+1/2,-y
    -316 -y+1/2,-x+1/2,+z
    -317 +z+1/2,-y+1/2,-x
    -318 -x+1/2,+z+1/2,-y
    -319 +z+1/2,-y+1/2,+x
    -320 +x+1/2,+z+1/2,-y
    -321 -x+1/2,+z+1/2,+y
    -322 +y+1/2,-x+1/2,+z
    -323 +z+1/2,+y+1/2,-x
    -324 -y+1/2,+x+1/2,+z
_cell_length_a     8.5793(2)
_cell_length_b     8.57934
_cell_length_c     8.57934
_cell_angle_alpha     90.0
_cell_angle_beta     90.0
_cell_angle_gamma     90.0
_cell_volume     631.48(5)
_cell_formula_units_Z     4
loop_
    _atom_type_symbol
    Ba
    Bi
    Sb
    O
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_thermal_displace_type
    _atom_site_occupancy
    Ba Ba 0.25 0.25 0.25 0.0291(6) Uiso 1.0
    Bi Bi 0.0 0.0 0.0 0.0259(10) Uiso 1.0
    Sb Sb 0.5 0.5 0.5 0.0217(13) Uiso 1.0
    O O 0.26871(17) 0.0 0.0 0.05113 Uani 1.0
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_1
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ba Ba . 4_555 4.28967(11) N
    Ba Ba . 4_556 4.28967(11) N
    Ba Ba . 5_555 4.28967(11) N
    Ba Ba . 5_655 4.28967(11) N
    Ba Ba . 6_555 4.28967(11) N
    Ba Ba . 6_565 4.28967(11) N
    Ba Bi . 1_555 3.71496(7) N
    Ba Bi . 101_555 3.71496(7) N
    Ba Bi . 201_555 3.71496(7) N
    Ba Bi . 301_555 3.71496(7) N
    Ba Sb . 1_555 3.71496(7) N
    Ba Sb . 101_544 3.71496(7) N
    Ba Sb . 201_454 3.71496(7) N
    Ba Sb . 301_445 3.71496(7) N
    Ba O . 1_555 3.03750(9) N
    Ba O . 2_555 3.03750(9) N
    Ba O . 3_555 3.03750(11) N
    Ba O . 101_555 3.03750(9) N
    Ba O . 109_555 3.03750(11) N
    Ba O . 111_555 3.03750(9) N
    Ba O . 202_555 3.03750(9) N
    Ba O . 209_555 3.03750(11) N
    Ba O . 210_555 3.03750(9) N
    Ba O . 303_555 3.03750(11) N
    Ba O . 310_555 3.03750(9) N
    Ba O . 311_555 3.03750(9) N
    Bi Ba . 1_555 3.71496(7) N
    Bi Ba . 4_555 3.71496(7) N
    Bi Ba . 5_555 3.71496(7) N
    Bi Ba . 6_555 3.71496(7) N
    Bi Ba . 7_555 3.71496(7) N
    Bi Ba . 8_555 3.71496(7) N
    Bi Ba . 9_555 3.71496(7) N
    Bi Ba . -1_555 3.71496(7) N
    Bi O . 1_555 2.3054(14) N
    Bi O . 2_555 2.3054(14) N
    Bi O . 3_555 2.3054(14) N
    Bi O . 9_555 2.3054(14) N
    Bi O . 10_555 2.3054(14) N
    Bi O . 11_555 2.3054(14) N
    Sb Ba . 1_555 3.71496(7) N
    Sb Ba . 4_556 3.71496(7) N
    Sb Ba . 5_655 3.71496(7) N
    Sb Ba . 6_565 3.71496(7) N
    Sb Ba . 7_656 3.71496(7) N
    Sb Ba . 8_665 3.71496(7) N
    Sb Ba . 9_566 3.71496(7) N
    Sb Ba . -1_666 3.71496(7) N
    Sb O . 101_555 1.9843(14) N
    Sb O . 110_655 1.9843(14) N
    Sb O . 202_555 1.9843(14) N
    Sb O . 211_565 1.9843(14) N
    Sb O . 303_555 1.9843(14) N
    Sb O . 309_556 1.9843(14) N
    O Ba . 1_555 3.03750(9) N
    O Ba . 4_555 3.03750(9) N
    O Ba . 6_555 3.03750(9) N
    O Ba . 9_555 3.03750(9) N
    O Bi . 1_555 2.3054(14) N
    O Sb . 101_544 1.9843(14) N
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_2
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Ba Ba Ba 4_555 . 4_556 180.0 N
    Ba Ba Ba 4_555 . 5_555 90.0 N
    Ba Ba Ba 4_555 . 5_655 90.0 N
    Ba Ba Ba 4_555 . 6_555 90.0 N
    Ba Ba Ba 4_555 . 6_565 90.0 N
    Ba Ba Bi 4_555 . 1_555 54.7356(10) N
    Ba Ba Bi 4_555 . 101_555 125.2644(10) N
    Ba Ba Bi 4_555 . 201_555 125.2644(10) N
    Ba Ba Bi 4_555 . 301_555 54.7356(10) N
    Ba Ba Sb 4_555 . 1_555 125.2644(10) N
    Ba Ba Sb 4_555 . 101_544 54.7356(10) N
    Ba Ba Sb 4_555 . 201_454 54.7356(10) N
    Ba Ba Sb 4_555 . 301_445 125.2644(10) N
    Ba Ba O 4_555 . 1_555 45.0800(18) N
    Ba Ba O 4_555 . 2_555 45.0800(18) N
    Ba Ba O 4_555 . 3_555 93.03(3)   N
    Ba Ba O 4_555 . 101_555 134.9200(18) N
    Ba Ba O 4_555 . 109_555 86.97(3)   N
    Ba Ba O 4_555 . 111_555 134.9200(18) N
    Ba Ba O 4_555 . 202_555 134.9200(18) N
    Ba Ba O 4_555 . 209_555 86.97(3)   N
    Ba Ba O 4_555 . 210_555 134.9200(18) N
    Ba Ba O 4_555 . 303_555 93.03(3)   N
    Ba Ba O 4_555 . 310_555 45.0800(18) N
    Ba Ba Ba 4_556 . 5_555 90.0 N
    Ba Ba Ba 4_556 . 5_655 90.0 N
    Ba Ba Ba 4_556 . 6_555 90.0 N
    Ba Ba Ba 4_556 . 6_565 90.0 N
    Ba Ba Bi 4_556 . 1_555 125.2644(10) N
    Ba Ba Bi 4_556 . 101_555 54.7356(10) N
    Ba Ba Bi 4_556 . 201_555 54.7356(10) N
    Ba Ba Bi 4_556 . 301_555 125.2644(10) N
    Ba Ba Sb 4_556 . 1_555 54.7356(10) N
    Ba Ba Sb 4_556 . 101_544 125.2644(10) N
    Ba Ba Sb 4_556 . 201_454 125.2644(10) N
    Ba Ba Sb 4_556 . 301_445 54.7356(10) N
    Ba Ba O 4_556 . 1_555 134.9200(18) N
    Ba Ba O 4_556 . 2_555 134.9200(18) N
    Ba Ba O 4_556 . 3_555 86.97(3)   N
    Ba Ba O 4_556 . 101_555 45.0800(18) N
    Ba Ba O 4_556 . 109_555 93.03(3)   N
    Ba Ba O 4_556 . 111_555 45.0800(18) N
    Ba Ba O 4_556 . 202_555 45.0800(18) N
    Ba Ba O 4_556 . 209_555 93.03(3)   N
    Ba Ba O 4_556 . 210_555 45.0800(18) N
    Ba Ba O 4_556 . 303_555 86.97(3)   N
    Ba Ba O 4_556 . 310_555 134.9200(18) N
    Ba Ba Ba 5_555 . 5_655 180.0 N
    Ba Ba Ba 5_555 . 6_555 90.0 N
    Ba Ba Ba 5_555 . 6_565 90.0 N
    Ba Ba Bi 5_555 . 1_555 54.7356(5) N
    Ba Ba Bi 5_555 . 101_555 54.7356(5) N
    Ba Ba Bi 5_555 . 201_555 125.2644(5) N
    Ba Ba Bi 5_555 . 301_555 125.2644(5) N
    Ba Ba Sb 5_555 . 1_555 125.2644(5) N
    Ba Ba Sb 5_555 . 101_544 125.2644(5) N
    Ba Ba Sb 5_555 . 201_454 54.7356(5) N
    Ba Ba Sb 5_555 . 301_445 54.7356(5) N
    Ba Ba O 5_555 . 1_555 93.03(3)   N
    Ba Ba O 5_555 . 2_555 45.0800(18) N
    Ba Ba O 5_555 . 3_555 45.0800(14) N
    Ba Ba O 5_555 . 101_555 93.03(3)   N
    Ba Ba O 5_555 . 109_555 45.0800(14) N
    Ba Ba O 5_555 . 111_555 45.0800(18) N
    Ba Ba O 5_555 . 202_555 134.9200(18) N
    Ba Ba O 5_555 . 209_555 134.9200(14) N
    Ba Ba O 5_555 . 210_555 86.97(3)   N
    Ba Ba O 5_555 . 303_555 134.9200(14) N
    Ba Ba O 5_555 . 310_555 86.97(3)   N
    Ba Ba Ba 5_655 . 6_555 90.0 N
    Ba Ba Ba 5_655 . 6_565 90.0 N
    Ba Ba Bi 5_655 . 1_555 125.2644(5) N
    Ba Ba Bi 5_655 . 101_555 125.2644(5) N
    Ba Ba Bi 5_655 . 201_555 54.7356(5) N
    Ba Ba Bi 5_655 . 301_555 54.7356(5) N
    Ba Ba Sb 5_655 . 1_555 54.7356(5) N
    Ba Ba Sb 5_655 . 101_544 54.7356(5) N
    Ba Ba Sb 5_655 . 201_454 125.2644(5) N
    Ba Ba Sb 5_655 . 301_445 125.2644(5) N
    Ba Ba O 5_655 . 1_555 86.97(3)   N
    Ba Ba O 5_655 . 2_555 134.9200(18) N
    Ba Ba O 5_655 . 3_555 134.9200(14) N
    Ba Ba O 5_655 . 101_555 86.97(3)   N
    Ba Ba O 5_655 . 109_555 134.9200(14) N
    Ba Ba O 5_655 . 111_555 134.9200(18) N
    Ba Ba O 5_655 . 202_555 45.0800(18) N
    Ba Ba O 5_655 . 209_555 45.0800(14) N
    Ba Ba O 5_655 . 210_555 93.03(3)   N
    Ba Ba O 5_655 . 303_555 45.0800(14) N
    Ba Ba O 5_655 . 310_555 93.03(3)   N
    Ba Ba Ba 6_555 . 6_565 180.0 N
    Ba Ba Bi 6_555 . 1_555 54.7356(5) N
    Ba Ba Bi 6_555 . 101_555 125.2644(5) N
    Ba Ba Bi 6_555 . 201_555 54.7356(5) N
    Ba Ba Bi 6_555 . 301_555 125.2644(5) N
    Ba Ba Sb 6_555 . 1_555 125.2644(5) N
    Ba Ba Sb 6_555 . 101_544 54.7356(5) N
    Ba Ba Sb 6_555 . 201_454 125.2644(5) N
    Ba Ba Sb 6_555 . 301_445 54.7356(5) N
    Ba Ba O 6_555 . 1_555 45.0800(18) N
    Ba Ba O 6_555 . 2_555 93.03(3)   N
    Ba Ba O 6_555 . 3_555 45.0800(14) N
    Ba Ba O 6_555 . 101_555 134.9200(18) N
    Ba Ba O 6_555 . 109_555 134.9200(14) N
    Ba Ba O 6_555 . 111_555 86.97(3)   N
    Ba Ba O 6_555 . 202_555 93.03(3)   N
    Ba Ba O 6_555 . 209_555 45.0800(14) N
    Ba Ba O 6_555 . 210_555 45.0800(18) N
    Ba Ba O 6_555 . 303_555 134.9200(14) N
    Ba Ba O 6_555 . 310_555 134.9200(18) N
    Ba Ba Bi 6_565 . 1_555 125.2644(5) N
    Ba Ba Bi 6_565 . 101_555 54.7356(5) N
    Ba Ba Bi 6_565 . 201_555 125.2644(5) N
    Ba Ba Bi 6_565 . 301_555 54.7356(5) N
    Ba Ba Sb 6_565 . 1_555 54.7356(5) N
    Ba Ba Sb 6_565 . 101_544 125.2644(5) N
    Ba Ba Sb 6_565 . 201_454 54.7356(5) N
    Ba Ba Sb 6_565 . 301_445 125.2644(5) N
    Ba Ba O 6_565 . 1_555 134.9200(18) N
    Ba Ba O 6_565 . 2_555 86.97(3)   N
    Ba Ba O 6_565 . 3_555 134.9200(14) N
    Ba Ba O 6_565 . 101_555 45.0800(18) N
    Ba Ba O 6_565 . 109_555 45.0800(14) N
    Ba Ba O 6_565 . 111_555 93.03(3)   N
    Ba Ba O 6_565 . 202_555 86.97(3)   N
    Ba Ba O 6_565 . 209_555 134.9200(14) N
    Ba Ba O 6_565 . 210_555 134.9200(18) N
    Ba Ba O 6_565 . 303_555 45.0800(14) N
    Ba Ba O 6_565 . 310_555 45.0800(18) N
    Bi Ba Bi 1_555 . 101_555 109.4712(10) N
    Bi Ba Bi 1_555 . 201_555 109.4712(10) N
    Bi Ba Bi 1_555 . 301_555 109.471(2)   N
    Bi Ba Sb 1_555 . 1_555 180.0 N
    Bi Ba Sb 1_555 . 101_544 70.5288(10) N
    Bi Ba Sb 1_555 . 201_454 70.5288(10) N
    Bi Ba Sb 1_555 . 301_445 70.529(2)   N
    Bi Ba O 1_555 . 1_555 38.29(3)   N
    Bi Ba O 1_555 . 2_555 38.29(3)   N
    Bi Ba O 1_555 . 3_555 38.29(3)   N
    Bi Ba O 1_555 . 101_555 147.77(3)   N
    Bi Ba O 1_555 . 109_555 88.251(15) N
    Bi Ba O 1_555 . 111_555 88.251(16) N
    Bi Ba O 1_555 . 202_555 147.77(3)   N
    Bi Ba O 1_555 . 209_555 88.251(15) N
    Bi Ba O 1_555 . 210_555 88.251(16) N
    Bi Ba O 1_555 . 303_555 147.77(3)   N
    Bi Ba O 1_555 . 310_555 88.251(15) N
    Bi Ba Bi 101_555 . 201_555 109.471(2)   N
    Bi Ba Bi 101_555 . 301_555 109.4712(10) N
    Bi Ba Sb 101_555 . 1_555 70.5288(10) N
    Bi Ba Sb 101_555 . 101_544 180.0 N
    Bi Ba Sb 101_555 . 201_454 70.529(2)   N
    Bi Ba Sb 101_555 . 301_445 70.5288(10) N
    Bi Ba O 101_555 . 1_555 147.77(3)   N
    Bi Ba O 101_555 . 2_555 88.251(16) N
    Bi Ba O 101_555 . 3_555 88.251(15) N
    Bi Ba O 101_555 . 101_555 38.29(3)   N
    Bi Ba O 101_555 . 109_555 38.29(3)   N
    Bi Ba O 101_555 . 111_555 38.29(3)   N
    Bi Ba O 101_555 . 202_555 88.251(15) N
    Bi Ba O 101_555 . 209_555 147.77(3)   N
    Bi Ba O 101_555 . 210_555 88.251(15) N
    Bi Ba O 101_555 . 303_555 88.251(15) N
    Bi Ba O 101_555 . 310_555 88.251(16) N
    Bi Ba Bi 201_555 . 301_555 109.4712(10) N
    Bi Ba Sb 201_555 . 1_555 70.5288(10) N
    Bi Ba Sb 201_555 . 101_544 70.529(2)   N
    Bi Ba Sb 201_555 . 201_454 180.0 N
    Bi Ba Sb 201_555 . 301_445 70.5288(10) N
    Bi Ba O 201_555 . 1_555 88.251(16) N
    Bi Ba O 201_555 . 2_555 147.77(3)   N
    Bi Ba O 201_555 . 3_555 88.251(15) N
    Bi Ba O 201_555 . 101_555 88.251(15) N
    Bi Ba O 201_555 . 109_555 147.77(3)   N
    Bi Ba O 201_555 . 111_555 88.251(15) N
    Bi Ba O 201_555 . 202_555 38.29(3)   N
    Bi Ba O 201_555 . 209_555 38.29(3)   N
    Bi Ba O 201_555 . 210_555 38.29(3)   N
    Bi Ba O 201_555 . 303_555 88.251(15) N
    Bi Ba O 201_555 . 310_555 147.77(3)   N
    Bi Ba Sb 301_555 . 1_555 70.529(2)   N
    Bi Ba Sb 301_555 . 101_544 70.5288(10) N
    Bi Ba Sb 301_555 . 201_454 70.5288(10) N
    Bi Ba Sb 301_555 . 301_445 180.0 N
    Bi Ba O 301_555 . 1_555 88.251(15) N
    Bi Ba O 301_555 . 2_555 88.251(15) N
    Bi Ba O 301_555 . 3_555 147.77(3)   N
    Bi Ba O 301_555 . 101_555 88.251(16) N
    Bi Ba O 301_555 . 109_555 88.251(15) N
    Bi Ba O 301_555 . 111_555 147.77(3)   N
    Bi Ba O 301_555 . 202_555 88.251(16) N
    Bi Ba O 301_555 . 209_555 88.251(15) N
    Bi Ba O 301_555 . 210_555 147.77(3)   N
    Bi Ba O 301_555 . 303_555 38.29(3)   N
    Bi Ba O 301_555 . 310_555 38.29(3)   N
    Sb Ba Sb 1_555 . 101_544 109.4712(10) N
    Sb Ba Sb 1_555 . 201_454 109.4712(10) N
    Sb Ba Sb 1_555 . 301_445 109.471(2)   N
    Sb Ba O 1_555 . 1_555 141.71(3)   N
    Sb Ba O 1_555 . 2_555 141.71(3)   N
    Sb Ba O 1_555 . 3_555 141.71(3)   N
    Sb Ba O 1_555 . 101_555 32.24(3)   N
    Sb Ba O 1_555 . 109_555 91.749(15) N
    Sb Ba O 1_555 . 111_555 91.749(16) N
    Sb Ba O 1_555 . 202_555 32.24(3)   N
    Sb Ba O 1_555 . 209_555 91.749(15) N
    Sb Ba O 1_555 . 210_555 91.749(16) N
    Sb Ba O 1_555 . 303_555 32.24(3)   N
    Sb Ba O 1_555 . 310_555 91.749(15) N
    Sb Ba Sb 101_544 . 201_454 109.471(2)   N
    Sb Ba Sb 101_544 . 301_445 109.4712(10) N
    Sb Ba O 101_544 . 1_555 32.24(3)   N
    Sb Ba O 101_544 . 2_555 91.749(16) N
    Sb Ba O 101_544 . 3_555 91.749(15) N
    Sb Ba O 101_544 . 101_555 141.71(3)   N
    Sb Ba O 101_544 . 109_555 141.71(3)   N
    Sb Ba O 101_544 . 111_555 141.71(3)   N
    Sb Ba O 101_544 . 202_555 91.749(15) N
    Sb Ba O 101_544 . 209_555 32.24(3)   N
    Sb Ba O 101_544 . 210_555 91.749(15) N
    Sb Ba O 101_544 . 303_555 91.749(15) N
    Sb Ba O 101_544 . 310_555 91.749(16) N
    Sb Ba Sb 201_454 . 301_445 109.4712(10) N
    Sb Ba O 201_454 . 1_555 91.749(16) N
    Sb Ba O 201_454 . 2_555 32.24(3)   N
    Sb Ba O 201_454 . 3_555 91.749(15) N
    Sb Ba O 201_454 . 101_555 91.749(15) N
    Sb Ba O 201_454 . 109_555 32.24(3)   N
    Sb Ba O 201_454 . 111_555 91.749(15) N
    Sb Ba O 201_454 . 202_555 141.71(3)   N
    Sb Ba O 201_454 . 209_555 141.71(3)   N
    Sb Ba O 201_454 . 210_555 141.71(3)   N
    Sb Ba O 201_454 . 303_555 91.749(15) N
    Sb Ba O 201_454 . 310_555 32.24(3)   N
    Sb Ba O 301_445 . 1_555 91.749(15) N
    Sb Ba O 301_445 . 2_555 91.749(15) N
    Sb Ba O 301_445 . 3_555 32.24(3)   N
    Sb Ba O 301_445 . 101_555 91.749(16) N
    Sb Ba O 301_445 . 109_555 91.749(15) N
    Sb Ba O 301_445 . 111_555 32.24(3)   N
    Sb Ba O 301_445 . 202_555 91.749(16) N
    Sb Ba O 301_445 . 209_555 91.749(15) N
    Sb Ba O 301_445 . 210_555 32.24(3)   N
    Sb Ba O 301_445 . 303_555 141.71(3)   N
    Sb Ba O 301_445 . 310_555 141.71(3)   N
    O Ba O 1_555 . 2_555 64.92(4) N
    O Ba O 1_555 . 3_555 64.92(4) N
    O Ba O 1_555 . 101_555 173.94(5) N
    O Ba O 1_555 . 109_555 119.9076(18) N
    O Ba O 1_555 . 111_555 119.908(2)   N
    O Ba O 1_555 . 202_555 119.908(2)   N
    O Ba O 1_555 . 209_555 55.02(4) N
    O Ba O 1_555 . 210_555 90.160(4)   N
    O Ba O 1_555 . 303_555 119.9076(17) N
    O Ba O 1_555 . 310_555 90.160(4)   N
    O Ba O 2_555 . 3_555 64.92(4) N
    O Ba O 2_555 . 101_555 119.908(2)   N
    O Ba O 2_555 . 109_555 55.02(4) N
    O Ba O 2_555 . 111_555 90.160(4)   N
    O Ba O 2_555 . 202_555 173.94(5) N
    O Ba O 2_555 . 209_555 119.9076(18) N
    O Ba O 2_555 . 210_555 119.908(2)   N
    O Ba O 2_555 . 303_555 119.9076(17) N
    O Ba O 2_555 . 310_555 55.02(4) N
    O Ba O 3_555 . 101_555 119.9076(18) N
    O Ba O 3_555 . 109_555 90.160(3)   N
    O Ba O 3_555 . 111_555 55.02(4) N
    O Ba O 3_555 . 202_555 119.9076(18) N
    O Ba O 3_555 . 209_555 90.160(3)   N
    O Ba O 3_555 . 210_555 55.02(4) N
    O Ba O 3_555 . 303_555 173.94(5) N
    O Ba O 3_555 . 310_555 119.9076(17) N
    O Ba O 101_555 . 109_555 64.92(4) N
    O Ba O 101_555 . 111_555 64.92(4) N
    O Ba O 101_555 . 202_555 55.02(4) N
    O Ba O 101_555 . 209_555 119.9076(17) N
    O Ba O 101_555 . 210_555 90.160(4)   N
    O Ba O 101_555 . 303_555 55.02(4) N
    O Ba O 101_555 . 310_555 90.160(4)   N
    O Ba O 109_555 . 111_555 64.92(4) N
    O Ba O 109_555 . 202_555 119.9076(17) N
    O Ba O 109_555 . 209_555 173.94(5) N
    O Ba O 109_555 . 210_555 119.9076(17) N
    O Ba O 109_555 . 303_555 90.160(3)   N
    O Ba O 109_555 . 310_555 55.02(4) N
    O Ba O 111_555 . 202_555 90.160(4)   N
    O Ba O 111_555 . 209_555 119.9076(17) N
    O Ba O 111_555 . 210_555 55.02(4) N
    O Ba O 111_555 . 303_555 119.9076(18) N
    O Ba O 111_555 . 310_555 119.908(2)   N
    O Ba O 202_555 . 209_555 64.92(4) N
    O Ba O 202_555 . 210_555 64.92(4) N
    O Ba O 202_555 . 303_555 55.02(4) N
    O Ba O 202_555 . 310_555 119.908(2)   N
    O Ba O 209_555 . 210_555 64.92(4) N
    O Ba O 209_555 . 303_555 90.160(3)   N
    O Ba O 209_555 . 310_555 119.9076(18) N
    O Ba O 210_555 . 303_555 119.9076(18) N
    O Ba O 210_555 . 310_555 173.94(5) N
    O Ba O 303_555 . 310_555 64.92(4) N
    Ba Bi Ba 1_555 . 4_555 70.529(2)   N
    Ba Bi Ba 1_555 . 5_555 70.5288(10) N
    Ba Bi Ba 1_555 . 6_555 70.5288(10) N
    Ba Bi Ba 1_555 . 7_555 109.4712(10) N
    Ba Bi Ba 1_555 . 8_555 109.471(2)   N
    Ba Bi Ba 1_555 . 9_555 109.4712(10) N
    Ba Bi Ba 1_555 . -1_555 180.0 N
    Ba Bi O 1_555 . 1_555 54.7356(5) N
    Ba Bi O 1_555 . 2_555 54.7356(5) N
    Ba Bi O 1_555 . 3_555 54.7356(10) N
    Ba Bi O 1_555 . 9_555 125.2644(10) N
    Ba Bi O 1_555 . 10_555 125.2644(5) N
    Ba Bi O 1_555 . 11_555 125.2644(5) N
    Ba Bi Ba 4_555 . 5_555 109.4712(10) N
    Ba Bi Ba 4_555 . 6_555 109.4712(10) N
    Ba Bi Ba 4_555 . 7_555 70.5288(10) N
    Ba Bi Ba 4_555 . 8_555 180.0 N
    Ba Bi Ba 4_555 . 9_555 70.5288(10) N
    Ba Bi Ba 4_555 . -1_555 109.471(2)   N
    Ba Bi O 4_555 . 1_555 54.7356(5) N
    Ba Bi O 4_555 . 2_555 54.7356(5) N
    Ba Bi O 4_555 . 3_555 125.2644(10) N
    Ba Bi O 4_555 . 9_555 54.7356(10) N
    Ba Bi O 4_555 . 10_555 125.2644(5) N
    Ba Bi O 4_555 . 11_555 125.2644(5) N
    Ba Bi Ba 5_555 . 6_555 109.471(2)   N
    Ba Bi Ba 5_555 . 7_555 70.529(2)   N
    Ba Bi Ba 5_555 . 8_555 70.5288(10) N
    Ba Bi Ba 5_555 . 9_555 180.0 N
    Ba Bi Ba 5_555 . -1_555 109.4712(10) N
    Ba Bi O 5_555 . 1_555 125.2644(5) N
    Ba Bi O 5_555 . 2_555 54.7356(5) N
    Ba Bi O 5_555 . 3_555 54.7356(10) N
    Ba Bi O 5_555 . 9_555 125.2644(10) N
    Ba Bi O 5_555 . 10_555 54.7356(5) N
    Ba Bi O 5_555 . 11_555 125.2644(5) N
    Ba Bi Ba 6_555 . 7_555 180.0 N
    Ba Bi Ba 6_555 . 8_555 70.5288(10) N
    Ba Bi Ba 6_555 . 9_555 70.529(2)   N
    Ba Bi Ba 6_555 . -1_555 109.4712(10) N
    Ba Bi O 6_555 . 1_555 54.7356(5) N
    Ba Bi O 6_555 . 2_555 125.2644(5) N
    Ba Bi O 6_555 . 3_555 54.7356(10) N
    Ba Bi O 6_555 . 9_555 125.2644(10) N
    Ba Bi O 6_555 . 10_555 125.2644(5) N
    Ba Bi O 6_555 . 11_555 54.7356(5) N
    Ba Bi Ba 7_555 . 8_555 109.4712(10) N
    Ba Bi Ba 7_555 . 9_555 109.471(2)   N
    Ba Bi Ba 7_555 . -1_555 70.5288(10) N
    Ba Bi O 7_555 . 1_555 125.2644(5) N
    Ba Bi O 7_555 . 2_555 54.7356(5) N
    Ba Bi O 7_555 . 3_555 125.2644(10) N
    Ba Bi O 7_555 . 9_555 54.7356(10) N
    Ba Bi O 7_555 . 10_555 54.7356(5) N
    Ba Bi O 7_555 . 11_555 125.2644(5) N
    Ba Bi Ba 8_555 . 9_555 109.4712(10) N
    Ba Bi Ba 8_555 . -1_555 70.529(2)   N
    Ba Bi O 8_555 . 1_555 125.2644(5) N
    Ba Bi O 8_555 . 2_555 125.2644(5) N
    Ba Bi O 8_555 . 3_555 54.7356(10) N
    Ba Bi O 8_555 . 9_555 125.2644(10) N
    Ba Bi O 8_555 . 10_555 54.7356(5) N
    Ba Bi O 8_555 . 11_555 54.7356(5) N
    Ba Bi Ba 9_555 . -1_555 70.5288(10) N
    Ba Bi O 9_555 . 1_555 54.7356(5) N
    Ba Bi O 9_555 . 2_555 125.2644(5) N
    Ba Bi O 9_555 . 3_555 125.2644(10) N
    Ba Bi O 9_555 . 9_555 54.7356(10) N
    Ba Bi O 9_555 . 10_555 125.2644(5) N
    Ba Bi O 9_555 . 11_555 54.7356(5) N
    Ba Bi O -1_555 . 1_555 125.2644(5) N
    Ba Bi O -1_555 . 2_555 125.2644(5) N
    Ba Bi O -1_555 . 3_555 125.2644(10) N
    Ba Bi O -1_555 . 9_555 54.7356(10) N
    Ba Bi O -1_555 . 10_555 54.7356(5) N
    Ba Bi O -1_555 . 11_555 54.7356(5) N
    O Bi O 1_555 . 2_555 90.0 N
    O Bi O 1_555 . 3_555 90.0 N
    O Bi O 1_555 . 9_555 90.0 N
    O Bi O 1_555 . 10_555 180.0 N
    O Bi O 1_555 . 11_555 90.0 N
    O Bi O 2_555 . 3_555 90.0 N
    O Bi O 2_555 . 9_555 90.0 N
    O Bi O 2_555 . 10_555 90.0 N
    O Bi O 2_555 . 11_555 180.0 N
    O Bi O 3_555 . 9_555 180.0 N
    O Bi O 3_555 . 10_555 90.0 N
    O Bi O 3_555 . 11_555 90.0 N
    O Bi O 9_555 . 10_555 90.0 N
    O Bi O 9_555 . 11_555 90.0 N
    O Bi O 10_555 . 11_555 90.0 N
    Ba Sb Ba 1_555 . 4_556 70.529(2)   N
    Ba Sb Ba 1_555 . 5_655 70.5288(10) N
    Ba Sb Ba 1_555 . 6_565 70.5288(10) N
    Ba Sb Ba 1_555 . 7_656 109.4712(10) N
    Ba Sb Ba 1_555 . 8_665 109.471(2)   N
    Ba Sb Ba 1_555 . 9_566 109.4712(10) N
    Ba Sb Ba 1_555 . -1_666 180.0 N
    Ba Sb O 1_555 . 101_555 54.7356(5) N
    Ba Sb O 1_555 . 110_655 125.2644(5) N
    Ba Sb O 1_555 . 202_555 54.7356(5) N
    Ba Sb O 1_555 . 211_565 125.2644(5) N
    Ba Sb O 1_555 . 303_555 54.7356(10) N
    Ba Sb O 1_555 . 309_556 125.2644(10) N
    Ba Sb Ba 4_556 . 5_655 109.4712(10) N
    Ba Sb Ba 4_556 . 6_565 109.4712(10) N
    Ba Sb Ba 4_556 . 7_656 70.5288(10) N
    Ba Sb Ba 4_556 . 8_665 180.0 N
    Ba Sb Ba 4_556 . 9_566 70.5288(10) N
    Ba Sb Ba 4_556 . -1_666 109.471(2)   N
    Ba Sb O 4_556 . 101_555 54.7356(5) N
    Ba Sb O 4_556 . 110_655 125.2644(5) N
    Ba Sb O 4_556 . 202_555 54.7356(5) N
    Ba Sb O 4_556 . 211_565 125.2644(5) N
    Ba Sb O 4_556 . 303_555 125.2644(10) N
    Ba Sb O 4_556 . 309_556 54.7356(10) N
    Ba Sb Ba 5_655 . 6_565 109.471(2)   N
    Ba Sb Ba 5_655 . 7_656 70.529(2)   N
    Ba Sb Ba 5_655 . 8_665 70.5288(10) N
    Ba Sb Ba 5_655 . 9_566 180.0 N
    Ba Sb Ba 5_655 . -1_666 109.4712(10) N
    Ba Sb O 5_655 . 101_555 125.2644(5) N
    Ba Sb O 5_655 . 110_655 54.7356(5) N
    Ba Sb O 5_655 . 202_555 54.7356(5) N
    Ba Sb O 5_655 . 211_565 125.2644(5) N
    Ba Sb O 5_655 . 303_555 54.7356(10) N
    Ba Sb O 5_655 . 309_556 125.2644(10) N
    Ba Sb Ba 6_565 . 7_656 180.0 N
    Ba Sb Ba 6_565 . 8_665 70.5288(10) N
    Ba Sb Ba 6_565 . 9_566 70.529(2)   N
    Ba Sb Ba 6_565 . -1_666 109.4712(10) N
    Ba Sb O 6_565 . 101_555 54.7356(5) N
    Ba Sb O 6_565 . 110_655 125.2644(5) N
    Ba Sb O 6_565 . 202_555 125.2644(5) N
    Ba Sb O 6_565 . 211_565 54.7356(5) N
    Ba Sb O 6_565 . 303_555 54.7356(10) N
    Ba Sb O 6_565 . 309_556 125.2644(10) N
    Ba Sb Ba 7_656 . 8_665 109.4712(10) N
    Ba Sb Ba 7_656 . 9_566 109.471(2)   N
    Ba Sb Ba 7_656 . -1_666 70.5288(10) N
    Ba Sb O 7_656 . 101_555 125.2644(5) N
    Ba Sb O 7_656 . 110_655 54.7356(5) N
    Ba Sb O 7_656 . 202_555 54.7356(5) N
    Ba Sb O 7_656 . 211_565 125.2644(5) N
    Ba Sb O 7_656 . 303_555 125.2644(10) N
    Ba Sb O 7_656 . 309_556 54.7356(10) N
    Ba Sb Ba 8_665 . 9_566 109.4712(10) N
    Ba Sb Ba 8_665 . -1_666 70.529(2)   N
    Ba Sb O 8_665 . 101_555 125.2644(5) N
    Ba Sb O 8_665 . 110_655 54.7356(5) N
    Ba Sb O 8_665 . 202_555 125.2644(5) N
    Ba Sb O 8_665 . 211_565 54.7356(5) N
    Ba Sb O 8_665 . 303_555 54.7356(10) N
    Ba Sb O 8_665 . 309_556 125.2644(10) N
    Ba Sb Ba 9_566 . -1_666 70.5288(10) N
    Ba Sb O 9_566 . 101_555 54.7356(5) N
    Ba Sb O 9_566 . 110_655 125.2644(5) N
    Ba Sb O 9_566 . 202_555 125.2644(5) N
    Ba Sb O 9_566 . 211_565 54.7356(5) N
    Ba Sb O 9_566 . 303_555 125.2644(10) N
    Ba Sb O 9_566 . 309_556 54.7356(10) N
    Ba Sb O -1_666 . 101_555 125.2644(5) N
    Ba Sb O -1_666 . 110_655 54.7356(5) N
    Ba Sb O -1_666 . 202_555 125.2644(5) N
    Ba Sb O -1_666 . 211_565 54.7356(5) N
    Ba Sb O -1_666 . 303_555 125.2644(10) N
    Ba Sb O -1_666 . 309_556 54.7356(10) N
    O Sb O 101_555 . 110_655 180.0 N
    O Sb O 101_555 . 202_555 90.0 N
    O Sb O 101_555 . 211_565 90.0 N
    O Sb O 101_555 . 303_555 90.0 N
    O Sb O 101_555 . 309_556 90.0 N
    O Sb O 110_655 . 202_555 90.0 N
    O Sb O 110_655 . 211_565 90.0 N
    O Sb O 110_655 . 303_555 90.0 N
    O Sb O 110_655 . 309_556 90.0 N
    O Sb O 202_555 . 211_565 180.0 N
    O Sb O 202_555 . 303_555 90.0 N
    O Sb O 202_555 . 309_556 90.0 N
    O Sb O 211_565 . 303_555 90.0 N
    O Sb O 211_565 . 309_556 90.0 N
    O Sb O 303_555 . 309_556 180.0 N
    Ba O Ba 1_555 . 4_555 89.840(4)   N
    Ba O Ba 1_555 . 6_555 89.840(4)   N
    Ba O Ba 1_555 . 9_555 173.94(5) N
    Ba O Bi 1_555 . 1_555 86.97(3)   N
    Ba O Sb 1_555 . 101_544 93.03(3)   N
    Ba O Ba 4_555 . 6_555 173.94(5) N
    Ba O Ba 4_555 . 9_555 89.840(4)   N
    Ba O Bi 4_555 . 1_555 86.97(3)   N
    Ba O Sb 4_555 . 101_544 93.03(3)   N
    Ba O Ba 6_555 . 9_555 89.840(4)   N
    Ba O Bi 6_555 . 1_555 86.97(3)   N
    Ba O Sb 6_555 . 101_544 93.03(3)   N
    Ba O Bi 9_555 . 1_555 86.97(3)   N
    Ba O Sb 9_555 . 101_544 93.03(3)   N
    Bi O Sb 1_555 . 101_544 180.0 N
data_BABIO3_4K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     4.2
_reflns_number_total     654
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
    Fe International_Tables_Vol_C
data_BABIO3_4K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     4.2
_reflns_number_total     320
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
    Fe International_Tables_Vol_C
data_BABIO3_200K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     200
_reflns_number_total     361
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
    Fe International_Tables_Vol_C
data_BABIO3_200K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_exptl_special_details
; ?
;
_diffrn_ambient_temperature     200
_reflns_number_total     183
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
    Fe International_Tables_Vol_C
data_BABIO3_498K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     498
_reflns_number_total     220
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
data_BABIO3_498K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     498
_reflns_number_total     107
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
data_BABIO3_893K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     893
_reflns_number_total     51
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
data_BABIO3_893K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     893
_reflns_number_total     29
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_4K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     4.2
_reflns_number_total     326
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_4K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     4.2
_reflns_number_total     126
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_325K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     325
_reflns_number_total     200
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_325K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     325
_reflns_number_total     76
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_570K_p_01
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     570
_reflns_number_total     48
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_BA2BISBO6_570K_p_02
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_exptl_absorpt_correction_T_min     1.00000
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     570
_reflns_number_total     21
loop_
    _atom_type_symbol
    _atom_type_scat_source
    Ba International_Tables_Vol_C
    Bi International_Tables_Vol_C
    Sb International_Tables_Vol_C
    O International_Tables_Vol_C
data_Instrument_HRPD
_diffrn_radiation_type     neutron
