##############################################################################
#                                                                            #
# 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.                                        #
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#                                                                            #
# The current version of the core CIF dictionary may be obtained from        #
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data_la
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2008-08-28
_journal_date_accepted     2009-01-12
_journal_name_full     'Acta Crystallographica, Section B'
_journal_year     2009
_journal_volume     65
_journal_issue      2
_journal_page_first     0
_journal_page_last     0
_journal_paper_category     FA
_journal_coeditor_code     BP5017
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.82 Ge La3 S7'
_chemical_formula_sum     'Ag0.82 Ge La3 S7'
_chemical_formula_weight     802.19
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     10.4056(15)
_cell_length_b     10.4056(15)
_cell_length_c     5.8280(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     546.49(16)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     729
_cell_measurement_theta_min     4.16
_cell_measurement_theta_max     26.36
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.09
_exptl_crystal_size_mid     0.04
_exptl_crystal_size_min     0.03
_exptl_crystal_density_diffrn     4.875
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     707
_exptl_absorpt_coefficient_mu     16.910
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.097
_exptl_absorpt_correction_T_max     0.599
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5858
_diffrn_reflns_av_R_equivalents     0.0387
_diffrn_reflns_av_sigmaI/netI     0.0175
_diffrn_reflns_theta_min     4.16
_diffrn_reflns_theta_max     26.36
_diffrn_reflns_theta_full     26.36
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     743
_reflns_number_gt     729
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0118
_refine_ls_R_factor_gt     0.0113
_refine_ls_wR_factor_gt     0.0223
_refine_ls_wR_factor_ref     0.0224
_refine_ls_goodness_of_fit_ref     1.040
_refine_ls_restrained_S_all     1.039
_refine_ls_number_reflns     743
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0107P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.370
_refine_diff_density_min     -0.440
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0042(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 334 Friedel pairs'
_refine_ls_abs_structure_Flack     0.014(12)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'La' 'La' -0.2871 2.4523
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    La La 0.875611(18) 0.641442(18) 0.24144(6) 0.00881(6) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.18424(19) 0.0387(6) Uani d SP 0.719(3) . .
    Ag Ag2 0.0000 0.0000 0.9766(13) 0.018(2) Uani d SP 0.102(3) . .
    Ge Ge1 0.3333 0.6667 0.32488(9) 0.00826(14) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9515(2) 0.0114(3) Uani d S 1 . .
    S S2 0.90929(9) 0.73775(9) 0.72749(15) 0.01254(16) Uani d . 1 . .
    S S3 0.58764(10) 0.47816(10) 0.97462(12) 0.00978(18) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    La S3 3_664 2.9145(9) ?
    La S2 5_564 2.9399(9) ?
    La S2 6_654 2.9452(9) ?
    La S2 . 2.9665(11) ?
    La S3 1_554 3.0319(9) ?
    La S3 6_654 3.0732(9) ?
    La S1 4_664 3.0878(7) ?
    La S2 1_554 3.1221(11) ?
    La Ag1 1_665 3.2981(5) ?
    La Ag2 4_664 3.556(3) ?
    La Ag2 1_664 3.626(3) ?
    Ag1 Ag2 1_554 1.210(7) ?
    Ag1 Ag2 4_554 1.704(7) ?
    Ag1 S2 5_454 2.4136(9) ?
    Ag1 S2 4_664 2.4136(9) ?
    Ag1 S2 6_544 2.4136(9) ?
    Ag1 Ag1 4_554 2.9140(6) ?
    Ag1 Ag1 4 2.9140(6) ?
    Ag1 La 2_655 3.2981(5) ?
    Ag1 La 1_445 3.2981(5) ?
    Ag1 La 3_565 3.2981(5) ?
    Ag2 Ag1 1_556 1.210(7) ?
    Ag2 Ag1 4 1.704(7) ?
    Ag2 S2 1_445 2.805(4) ?
    Ag2 S2 3_565 2.805(4) ?
    Ag2 S2 2_655 2.805(4) ?
    Ag2 S2 4_665 2.811(4) ?
    Ag2 S2 5_455 2.811(4) ?
    Ag2 S2 6_545 2.811(4) ?
    Ag2 Ag2 4_554 2.9140(6) ?
    Ag2 Ag2 4 2.9140(6) ?
    Ag2 La 5_455 3.556(3) ?
    Ag2 La 4_665 3.556(3) ?
    Ge1 S1 1_554 2.1758(14) ?
    Ge1 S3 5_564 2.2245(9) ?
    Ge1 S3 6_554 2.2245(9) ?
    Ge1 S3 4_664 2.2245(9) ?
    S1 Ge1 1_556 2.1758(14) ?
    S1 La 6 3.0878(7) ?
    S1 La 4_665 3.0878(7) ?
    S1 La 5_565 3.0878(7) ?
    S2 Ag1 4_665 2.4136(9) ?
    S2 Ag2 1_665 2.805(4) ?
    S2 Ag2 4_664 2.811(4) ?
    S2 La 6_655 2.9399(9) ?
    S2 La 5_565 2.9452(9) ?
    S2 La 1_556 3.1221(11) ?
    S3 Ge1 4_665 2.2245(9) ?
    S3 La 2_656 2.9145(9) ?
    S3 La 1_556 3.0319(9) ?
    S3 La 5_565 3.0732(9) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S3 La S2 3_664 5_564 140.33(3) ?
    S3 La S2 3_664 6_654 107.53(2) ?
    S2 La S2 5_564 6_654 89.89(3) ?
    S3 La S2 3_664 . 137.75(2) ?
    S2 La S2 5_564 . 79.46(2) ?
    S2 La S2 6_654 . 79.38(2) ?
    S3 La S3 3_664 1_554 73.14(3) ?
    S2 La S3 5_564 1_554 71.59(2) ?
    S2 La S3 6_654 1_554 142.08(3) ?
    S2 La S3 . 1_554 126.57(2) ?
    S3 La S3 3_664 6_654 73.508(19) ?
    S2 La S3 5_564 6_654 145.66(3) ?
    S2 La S3 6_654 6_654 68.66(2) ?
    S2 La S3 . 6_654 70.65(2) ?
    S3 La S3 1_554 6_654 140.85(2) ?
    S3 La S1 3_664 4_664 70.13(2) ?
    S2 La S1 5_564 4_664 112.021(18) ?
    S2 La S1 6_654 4_664 148.62(2) ?
    S2 La S1 . 4_664 82.82(3) ?
    S3 La S1 1_554 4_664 68.65(2) ?
    S3 La S1 6_654 4_664 81.15(2) ?
    S3 La S2 3_664 1_554 72.98(2) ?
    S2 La S2 5_564 1_554 76.97(2) ?
    S2 La S2 6_654 1_554 76.90(2) ?
    S2 La S2 . 1_554 146.34(3) ?
    S3 La S2 1_554 1_554 66.96(2) ?
    S3 La S2 6_654 1_554 120.71(2) ?
    S1 La S2 4_664 1_554 128.42(3) ?
    S3 La Ag1 3_664 1_665 136.06(3) ?
    S2 La Ag1 5_564 1_665 45.071(16) ?
    S2 La Ag1 6_654 1_665 45.044(16) ?
    S2 La Ag1 . 1_665 78.53(3) ?
    S3 La Ag1 1_554 1_665 107.52(2) ?
    S3 La Ag1 6_654 1_665 110.62(2) ?
    S1 La Ag1 4_664 1_665 152.74(2) ?
    S2 La Ag1 1_554 1_665 67.81(3) ?
    S3 La Ag2 3_664 4_664 157.44(6) ?
    S2 La Ag2 5_564 4_664 50.08(5) ?
    S2 La Ag2 6_654 4_664 50.05(5) ?
    S2 La Ag2 . 4_664 50.06(11) ?
    S3 La Ag2 1_554 4_664 121.66(5) ?
    S3 La Ag2 6_654 4_664 96.59(6) ?
    S1 La Ag2 4_664 4_664 129.39(11) ?
    S2 La Ag2 1_554 4_664 96.28(12) ?
    Ag1 La Ag2 1_665 4_664 28.47(11) ?
    S3 La Ag2 3_664 1_664 118.48(10) ?
    S2 La Ag2 5_564 1_664 49.34(4) ?
    S2 La Ag2 6_654 1_664 49.32(4) ?
    S2 La Ag2 . 1_664 97.92(11) ?
    S3 La Ag2 1_554 1_664 95.89(7) ?
    S3 La Ag2 6_654 1_664 117.90(4) ?
    S1 La Ag2 4_664 1_664 160.202(7) ?
    S2 La Ag2 1_554 1_664 48.42(11) ?
    Ag1 La Ag2 1_665 1_664 19.39(10) ?
    Ag2 La Ag2 4_664 1_664 47.861(12) ?
    Ag2 Ag1 Ag2 1_554 4_554 180.0000(10)
                                       ?
    Ag2 Ag1 S2 1_554 5_454 95.99(3) ?
    Ag2 Ag1 S2 4_554 5_454 84.01(3) ?
    Ag2 Ag1 S2 1_554 4_664 95.99(3) ?
    Ag2 Ag1 S2 4_554 4_664 84.01(3) ?
    S2 Ag1 S2 5_454 4_664 118.924(11) ?
    Ag2 Ag1 S2 1_554 6_544 95.99(3) ?
    Ag2 Ag1 S2 4_554 6_544 84.01(3) ?
    S2 Ag1 S2 5_454 6_544 118.924(11) ?
    S2 Ag1 S2 4_664 6_544 118.924(11) ?
    Ag2 Ag1 Ag1 1_554 4_554 0.0 ?
    Ag2 Ag1 Ag1 4_554 4_554 180.0000(10)
                                       ?
    S2 Ag1 Ag1 5_454 4_554 95.99(3) ?
    S2 Ag1 Ag1 4_664 4_554 95.99(3) ?
    S2 Ag1 Ag1 6_544 4_554 95.99(3) ?
    Ag2 Ag1 Ag1 1_554 4 180.0 ?
    Ag2 Ag1 Ag1 4_554 4 0.0000(10)
                                 ?
    S2 Ag1 Ag1 5_454 4 84.01(3) ?
    S2 Ag1 Ag1 4_664 4 84.01(3) ?
    S2 Ag1 Ag1 6_544 4 84.01(3) ?
    Ag1 Ag1 Ag1 4_554 4 180.0 ?
    Ag2 Ag1 La 1_554 2_655 95.80(2) ?
    Ag2 Ag1 La 4_554 2_655 84.20(2) ?
    S2 Ag1 La 5_454 2_655 168.21(5) ?
    S2 Ag1 La 4_664 2_655 59.715(19) ?
    S2 Ag1 La 6_544 2_655 59.586(19) ?
    Ag1 Ag1 La 4_554 2_655 95.80(2) ?
    Ag1 Ag1 La 4 2_655 84.20(2) ?
    Ag2 Ag1 La 1_554 1_445 95.80(2) ?
    Ag2 Ag1 La 4_554 1_445 84.20(2) ?
    S2 Ag1 La 5_454 1_445 59.586(19) ?
    S2 Ag1 La 4_664 1_445 168.21(5) ?
    S2 Ag1 La 6_544 1_445 59.715(19) ?
    Ag1 Ag1 La 4_554 1_445 95.80(2) ?
    Ag1 Ag1 La 4 1_445 84.20(2) ?
    La Ag1 La 2_655 1_445 118.992(7) ?
    Ag2 Ag1 La 1_554 3_565 95.80(2) ?
    Ag2 Ag1 La 4_554 3_565 84.20(2) ?
    S2 Ag1 La 5_454 3_565 59.715(19) ?
    S2 Ag1 La 4_664 3_565 59.586(19) ?
    S2 Ag1 La 6_544 3_565 168.21(5) ?
    Ag1 Ag1 La 4_554 3_565 95.80(2) ?
    Ag1 Ag1 La 4 3_565 84.20(2) ?
    La Ag1 La 2_655 3_565 118.992(7) ?
    La Ag1 La 1_445 3_565 118.992(7) ?
    Ag1 Ag2 Ag1 1_556 4 180.0000(10)
                                   ?
    Ag1 Ag2 S2 1_556 1_445 121.16(13) ?
    Ag1 Ag2 S2 4 1_445 58.84(13) ?
    Ag1 Ag2 S2 1_556 3_565 121.16(13) ?
    Ag1 Ag2 S2 4 3_565 58.84(13) ?
    S2 Ag2 S2 1_445 3_565 95.64(18) ?
    Ag1 Ag2 S2 1_556 2_655 121.16(13) ?
    Ag1 Ag2 S2 4 2_655 58.84(13) ?
    S2 Ag2 S2 1_445 2_655 95.64(18) ?
    S2 Ag2 S2 3_565 2_655 95.64(18) ?
    Ag1 Ag2 S2 1_556 4_665 58.65(13) ?
    Ag1 Ag2 S2 4 4_665 121.35(13) ?
    S2 Ag2 S2 1_445 4_665 179.8(3) ?
    S2 Ag2 S2 3_565 4_665 84.483(14) ?
    S2 Ag2 S2 2_655 4_665 84.483(14) ?
    Ag1 Ag2 S2 1_556 5_455 58.65(13) ?
    Ag1 Ag2 S2 4 5_455 121.35(13) ?
    S2 Ag2 S2 1_445 5_455 84.483(14) ?
    S2 Ag2 S2 3_565 5_455 84.483(14) ?
    S2 Ag2 S2 2_655 5_455 179.8(3) ?
    S2 Ag2 S2 4_665 5_455 95.39(18) ?
    Ag1 Ag2 S2 1_556 6_545 58.65(13) ?
    Ag1 Ag2 S2 4 6_545 121.35(13) ?
    S2 Ag2 S2 1_445 6_545 84.483(14) ?
    S2 Ag2 S2 3_565 6_545 179.8(3) ?
    S2 Ag2 S2 2_655 6_545 84.483(14) ?
    S2 Ag2 S2 4_665 6_545 95.39(18) ?
    S2 Ag2 S2 5_455 6_545 95.39(18) ?
    Ag1 Ag2 Ag2 1_556 4_554 180.000(4) ?
    Ag1 Ag2 Ag2 4 4_554 0.0000(10)
                                 ?
    S2 Ag2 Ag2 1_445 4_554 58.84(13) ?
    S2 Ag2 Ag2 3_565 4_554 58.84(13) ?
    S2 Ag2 Ag2 2_655 4_554 58.84(13) ?
    S2 Ag2 Ag2 4_665 4_554 121.35(13) ?
    S2 Ag2 Ag2 5_455 4_554 121.35(13) ?
    S2 Ag2 Ag2 6_545 4_554 121.35(13) ?
    Ag1 Ag2 Ag2 1_556 4 0.0000(10)
                                 ?
    Ag1 Ag2 Ag2 4 4 180.000(3) ?
    S2 Ag2 Ag2 1_445 4 121.16(13) ?
    S2 Ag2 Ag2 3_565 4 121.16(13) ?
    S2 Ag2 Ag2 2_655 4 121.16(13) ?
    S2 Ag2 Ag2 4_665 4 58.65(13) ?
    S2 Ag2 Ag2 5_455 4 58.65(13) ?
    S2 Ag2 Ag2 6_545 4 58.65(13) ?
    Ag2 Ag2 Ag2 4_554 4 180.000(3) ?
    Ag1 Ag2 La 1_556 5_455 112.67(11) ?
    Ag1 Ag2 La 4 5_455 67.33(11) ?
    S2 Ag2 La 1_445 5_455 53.60(6) ?
    S2 Ag2 La 3_565 5_455 53.49(6) ?
    S2 Ag2 La 2_655 5_455 126.2(2) ?
    S2 Ag2 La 4_665 5_455 126.42(3) ?
    S2 Ag2 La 5_455 5_455 54.02(3) ?
    S2 Ag2 La 6_545 5_455 126.53(3) ?
    Ag2 Ag2 La 4_554 5_455 67.33(11) ?
    Ag2 Ag2 La 4 5_455 112.67(11) ?
    Ag1 Ag2 La 1_556 4_665 112.67(11) ?
    Ag1 Ag2 La 4 4_665 67.33(11) ?
    S2 Ag2 La 1_445 4_665 126.2(2) ?
    S2 Ag2 La 3_565 4_665 53.60(6) ?
    S2 Ag2 La 2_655 4_665 53.49(6) ?
    S2 Ag2 La 4_665 4_665 54.02(3) ?
    S2 Ag2 La 5_455 4_665 126.53(3) ?
    S2 Ag2 La 6_545 4_665 126.42(3) ?
    Ag2 Ag2 La 4_554 4_665 67.33(11) ?
    Ag2 Ag2 La 4 4_665 112.67(11) ?
    La Ag2 La 5_455 4_665 106.09(13) ?
    S1 Ge1 S3 1_554 5_564 113.10(2) ?
    S1 Ge1 S3 1_554 6_554 113.10(2) ?
    S3 Ge1 S3 5_564 6_554 105.61(3) ?
    S1 Ge1 S3 1_554 4_664 113.10(2) ?
    S3 Ge1 S3 5_564 4_664 105.61(3) ?
    S3 Ge1 S3 6_554 4_664 105.61(3) ?
    Ge1 S1 La 1_556 6 113.36(2) ?
    Ge1 S1 La 1_556 4_665 113.36(2) ?
    La S1 La 6 4_665 105.31(3) ?
    Ge1 S1 La 1_556 5_565 113.36(2) ?
    La S1 La 6 5_565 105.31(3) ?
    La S1 La 4_665 5_565 105.31(3) ?
    Ag2 S2 Ag2 1_665 4_664 62.51(2) ?
    Ag1 S2 La 4_665 6_655 75.34(2) ?
    Ag2 S2 La 1_665 6_655 76.44(3) ?
    Ag2 S2 La 4_664 6_655 78.15(3) ?
    Ag1 S2 La 4_665 5_565 75.24(2) ?
    Ag2 S2 La 1_665 5_565 76.35(3) ?
    Ag2 S2 La 4_664 5_565 78.06(3) ?
    La S2 La 6_655 5_565 149.90(3) ?
    Ag1 S2 La 4_665 . 101.28(4) ?
    Ag2 S2 La 1_665 . 138.44(13) ?
    Ag2 S2 La 4_664 . 75.92(13) ?
    La S2 La 6_655 . 95.97(3) ?
    La S2 La 5_565 . 95.86(3) ?
    Ag1 S2 La 4_665 1_556 112.38(4) ?
    Ag2 S2 La 1_665 1_556 75.22(14) ?
    Ag2 S2 La 4_664 1_556 137.74(14) ?
    La S2 La 6_655 1_556 92.71(2) ?
    La S2 La 5_565 1_556 92.61(2) ?
    La S2 La . 1_556 146.34(3) ?
    Ge1 S3 La 4_665 2_656 92.15(3) ?
    Ge1 S3 La 4_665 1_556 89.10(3) ?
    La S3 La 2_656 1_556 111.30(3) ?
    Ge1 S3 La 4_665 5_565 122.50(3) ?
    La S3 La 2_656 5_565 139.09(3) ?
    La S3 La 1_556 5_565 91.91(2) ?
data_ce
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.88 Ce3 Ge S7'
_chemical_formula_sum     'Ag0.88 Ce3 Ge S7'
_chemical_formula_weight     812.30
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     10.3902(15)
_cell_length_b     10.3902(15)
_cell_length_c     5.8425(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     546.23(16)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     704
_cell_measurement_theta_min     4.16
_cell_measurement_theta_max     26.37
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.09
_exptl_crystal_size_mid     0.08
_exptl_crystal_size_min     0.06
_exptl_crystal_density_diffrn     4.939
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     719
_exptl_absorpt_coefficient_mu     17.792
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.097
_exptl_absorpt_correction_T_max     0.599
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     6515
_diffrn_reflns_av_R_equivalents     0.0431
_diffrn_reflns_av_sigmaI/netI     0.0236
_diffrn_reflns_theta_min     4.16
_diffrn_reflns_theta_max     26.37
_diffrn_reflns_theta_full     26.37
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     6
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     726
_reflns_number_gt     704
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0224
_refine_ls_R_factor_gt     0.0214
_refine_ls_wR_factor_gt     0.0461
_refine_ls_wR_factor_ref     0.0464
_refine_ls_goodness_of_fit_ref     1.057
_refine_ls_restrained_S_all     1.056
_refine_ls_number_reflns     726
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0294P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     1.013
_refine_diff_density_min     -0.701
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0122(6)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 319 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.04(2)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ce' 'Ce' -0.2486 2.6331
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ce Ce 0.87483(3) 0.64142(3) 0.23920(14) 0.01007(13) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.1694(6) 0.0391(16) Uani d SP 0.783(9) . .
    Ag Ag2 0.0000 0.0000 0.965(4) 0.026(7) Uani d SP 0.098(9) . .
    Ge Ge1 0.3333 0.6667 0.3228(2) 0.0100(3) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9480(5) 0.0116(6) Uani d S 1 . .
    S S2 0.90743(17) 0.73512(17) 0.7237(4) 0.0135(3) Uani d . 1 . .
    S S3 0.5867(2) 0.47870(19) 0.9745(3) 0.0108(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ce S3 3_664 2.9091(18) ?
    Ce S2 6_654 2.9425(16) ?
    Ce S2 5_564 2.9446(16) ?
    Ce S2 . 2.957(2) ?
    Ce S3 1_554 3.0251(18) ?
    Ce S3 6_654 3.0758(18) ?
    Ce S1 4_664 3.0805(13) ?
    Ce S2 1_554 3.131(2) ?
    Ce Ag1 1_665 3.3005(7) ?
    Ce Ag2 4_664 3.530(9) ?
    Ce Ag2 1_664 3.647(11) ?
    Ag1 Ag2 1_554 1.20(2) ?
    Ag1 Ag2 4_554 1.73(2) ?
    Ag1 S2 4_664 2.4399(16) ?
    Ag1 S2 5_454 2.4399(16) ?
    Ag1 S2 6_544 2.4399(16) ?
    Ag1 Ag1 4_554 2.9212(6) ?
    Ag1 Ag1 4 2.9213(6) ?
    Ag1 Ce 2_655 3.3005(7) ?
    Ag1 Ce 1_445 3.3005(7) ?
    Ag1 Ce 3_565 3.3005(7) ?
    Ag2 Ag1 1_556 1.20(2) ?
    Ag2 Ag1 4 1.73(2) ?
    Ag2 S2 1_445 2.799(12) ?
    Ag2 S2 2_655 2.799(12) ?
    Ag2 S2 3_565 2.799(12) ?
    Ag2 S2 4_665 2.854(13) ?
    Ag2 S2 6_545 2.854(13) ?
    Ag2 S2 5_455 2.854(13) ?
    Ag2 Ag2 4 2.9212(6) ?
    Ag2 Ag2 4_554 2.9212(6) ?
    Ag2 Ce 5_455 3.530(9) ?
    Ag2 Ce 4_665 3.530(9) ?
    Ge1 S1 1_554 2.190(3) ?
    Ge1 S3 5_564 2.2391(19) ?
    Ge1 S3 6_554 2.2391(19) ?
    Ge1 S3 4_664 2.2391(19) ?
    S1 Ge1 1_556 2.190(3) ?
    S1 Ce 6 3.0805(13) ?
    S1 Ce 4_665 3.0805(13) ?
    S1 Ce 5_565 3.0805(13) ?
    S2 Ag1 4_665 2.4399(16) ?
    S2 Ag2 1_665 2.799(12) ?
    S2 Ag2 4_664 2.854(13) ?
    S2 Ce 5_565 2.9425(16) ?
    S2 Ce 6_655 2.9446(16) ?
    S2 Ce 1_556 3.131(2) ?
    S3 Ge1 4_665 2.2391(19) ?
    S3 Ce 2_656 2.9091(18) ?
    S3 Ce 1_556 3.0251(18) ?
    S3 Ce 5_565 3.0758(18) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S3 Ce S2 3_664 6_654 106.58(5) ?
    S3 Ce S2 3_664 5_564 140.39(6) ?
    S2 Ce S2 6_654 5_564 90.76(6) ?
    S3 Ce S2 3_664 . 137.17(5) ?
    S2 Ce S2 6_654 . 80.01(5) ?
    S2 Ce S2 5_564 . 79.98(5) ?
    S3 Ce S3 3_664 1_554 73.73(7) ?
    S2 Ce S3 6_654 1_554 142.23(6) ?
    S2 Ce S3 5_564 1_554 71.11(5) ?
    S2 Ce S3 . 1_554 126.28(5) ?
    S3 Ce S3 3_664 6_654 73.27(3) ?
    S2 Ce S3 6_654 6_654 68.46(5) ?
    S2 Ce S3 5_564 6_654 145.89(5) ?
    S2 Ce S3 . 6_654 70.23(5) ?
    S3 Ce S3 1_554 6_654 140.90(5) ?
    S3 Ce S1 3_664 4_664 70.19(5) ?
    S2 Ce S1 6_654 4_664 148.24(5) ?
    S2 Ce S1 5_564 4_664 111.99(4) ?
    S2 Ce S1 . 4_664 82.44(6) ?
    S3 Ce S1 1_554 4_664 68.73(5) ?
    S3 Ce S1 6_654 4_664 80.76(4) ?
    S3 Ce S2 3_664 1_554 72.60(5) ?
    S2 Ce S2 6_654 1_554 77.22(5) ?
    S2 Ce S2 5_564 1_554 77.19(5) ?
    S2 Ce S2 . 1_554 147.31(6) ?
    S3 Ce S2 1_554 1_554 66.74(4) ?
    S3 Ce S2 6_654 1_554 120.98(5) ?
    S1 Ce S2 4_664 1_554 127.92(6) ?
    S3 Ce Ag1 3_664 1_665 134.75(7) ?
    S2 Ce Ag1 6_654 1_665 45.56(3) ?
    S2 Ce Ag1 5_564 1_665 45.55(3) ?
    S2 Ce Ag1 . 1_665 80.27(7) ?
    S3 Ce Ag1 1_554 1_665 106.80(5) ?
    S3 Ce Ag1 6_654 1_665 111.20(5) ?
    S1 Ce Ag1 4_664 1_665 153.84(5) ?
    S2 Ce Ag1 1_554 1_665 67.04(7) ?
    S3 Ce Ag2 3_664 4_664 156.6(2) ?
    S2 Ce Ag2 6_654 4_664 50.24(14) ?
    S2 Ce Ag2 5_564 4_664 50.23(14) ?
    S2 Ce Ag2 . 4_664 51.3(4) ?
    S3 Ce Ag2 1_554 4_664 121.33(15) ?
    S3 Ce Ag2 6_654 4_664 96.9(2) ?
    S1 Ce Ag2 4_664 4_664 130.2(3) ?
    S2 Ce Ag2 1_554 4_664 96.0(4) ?
    Ag1 Ce Ag2 1_665 4_664 29.0(3) ?
    S3 Ce Ag2 3_664 1_664 117.6(3) ?
    S2 Ce Ag2 6_654 1_664 49.93(13) ?
    S2 Ce Ag2 5_564 1_664 49.92(13) ?
    S2 Ce Ag2 . 1_664 99.3(3) ?
    S3 Ce Ag2 1_554 1_664 95.4(2) ?
    S3 Ce Ag2 6_654 1_664 118.29(11) ?
    S1 Ce Ag2 4_664 1_664 160.43(3) ?
    S2 Ce Ag2 1_554 1_664 48.0(3) ?
    Ag1 Ce Ag2 1_665 1_664 19.0(3) ?
    Ag2 Ce Ag2 4_664 1_664 48.00(3) ?
    Ag2 Ag1 Ag2 1_554 4_554 180.000(3) ?
    Ag2 Ag1 S2 1_554 4_664 97.47(9) ?
    Ag2 Ag1 S2 4_554 4_664 82.53(9) ?
    Ag2 Ag1 S2 1_554 5_454 97.47(9) ?
    Ag2 Ag1 S2 4_554 5_454 82.53(9) ?
    S2 Ag1 S2 4_664 5_454 118.34(4) ?
    Ag2 Ag1 S2 1_554 6_544 97.47(9) ?
    Ag2 Ag1 S2 4_554 6_544 82.53(9) ?
    S2 Ag1 S2 4_664 6_544 118.34(4) ?
    S2 Ag1 S2 5_454 6_544 118.34(4) ?
    Ag2 Ag1 Ag1 1_554 4_554 0.0 ?
    Ag2 Ag1 Ag1 4_554 4_554 180.000(3) ?
    S2 Ag1 Ag1 4_664 4_554 97.47(9) ?
    S2 Ag1 Ag1 5_454 4_554 97.47(9) ?
    S2 Ag1 Ag1 6_544 4_554 97.47(9) ?
    Ag2 Ag1 Ag1 1_554 4 180.0 ?
    Ag2 Ag1 Ag1 4_554 4 0.000(3) ?
    S2 Ag1 Ag1 4_664 4 82.53(9) ?
    S2 Ag1 Ag1 5_454 4 82.53(9) ?
    S2 Ag1 Ag1 6_544 4 82.53(9) ?
    Ag1 Ag1 Ag1 4_554 4 180.0 ?
    Ag2 Ag1 Ce 1_554 2_655 97.09(6) ?
    Ag2 Ag1 Ce 4_554 2_655 82.91(6) ?
    S2 Ag1 Ce 4_664 2_655 59.44(4) ?
    S2 Ag1 Ce 5_454 2_655 165.44(14) ?
    S2 Ag1 Ce 6_544 2_655 59.49(4) ?
    Ag1 Ag1 Ce 4_554 2_655 97.09(6) ?
    Ag1 Ag1 Ce 4 2_655 82.91(6) ?
    Ag2 Ag1 Ce 1_554 1_445 97.09(6) ?
    Ag2 Ag1 Ce 4_554 1_445 82.91(6) ?
    S2 Ag1 Ce 4_664 1_445 165.44(14) ?
    S2 Ag1 Ce 5_454 1_445 59.49(4) ?
    S2 Ag1 Ce 6_544 1_445 59.44(4) ?
    Ag1 Ag1 Ce 4_554 1_445 97.09(6) ?
    Ag1 Ag1 Ce 4 1_445 82.91(6) ?
    Ce Ag1 Ce 2_655 1_445 118.50(3) ?
    Ag2 Ag1 Ce 1_554 3_565 97.09(6) ?
    Ag2 Ag1 Ce 4_554 3_565 82.91(6) ?
    S2 Ag1 Ce 4_664 3_565 59.49(4) ?
    S2 Ag1 Ce 5_454 3_565 59.44(4) ?
    S2 Ag1 Ce 6_544 3_565 165.44(14) ?
    Ag1 Ag1 Ce 4_554 3_565 97.09(6) ?
    Ag1 Ag1 Ce 4 3_565 82.91(6) ?
    Ce Ag1 Ce 2_655 3_565 118.50(3) ?
    Ce Ag1 Ce 1_445 3_565 118.50(3) ?
    Ag1 Ag2 Ag1 1_556 4 180.000(3) ?
    Ag1 Ag2 S2 1_556 1_445 120.2(4) ?
    Ag1 Ag2 S2 4 1_445 59.8(4) ?
    Ag1 Ag2 S2 1_556 2_655 120.2(4) ?
    Ag1 Ag2 S2 4 2_655 59.8(4) ?
    S2 Ag2 S2 1_445 2_655 96.9(6) ?
    Ag1 Ag2 S2 1_556 3_565 120.2(4) ?
    Ag1 Ag2 S2 4 3_565 59.8(4) ?
    S2 Ag2 S2 1_445 3_565 96.9(6) ?
    S2 Ag2 S2 2_655 3_565 96.9(6) ?
    Ag1 Ag2 S2 1_556 4_665 58.0(4) ?
    Ag1 Ag2 S2 4 4_665 122.0(4) ?
    S2 Ag2 S2 1_445 4_665 178.2(8) ?
    S2 Ag2 S2 2_655 4_665 84.28(3) ?
    S2 Ag2 S2 3_565 4_665 84.28(3) ?
    Ag1 Ag2 S2 1_556 6_545 58.0(4) ?
    Ag1 Ag2 S2 4 6_545 122.0(4) ?
    S2 Ag2 S2 1_445 6_545 84.28(3) ?
    S2 Ag2 S2 2_655 6_545 84.28(3) ?
    S2 Ag2 S2 3_565 6_545 178.2(8) ?
    S2 Ag2 S2 4_665 6_545 94.5(6) ?
    Ag1 Ag2 S2 1_556 5_455 58.0(4) ?
    Ag1 Ag2 S2 4 5_455 122.0(4) ?
    S2 Ag2 S2 1_445 5_455 84.28(3) ?
    S2 Ag2 S2 2_655 5_455 178.2(8) ?
    S2 Ag2 S2 3_565 5_455 84.28(3) ?
    S2 Ag2 S2 4_665 5_455 94.5(6) ?
    S2 Ag2 S2 6_545 5_455 94.5(6) ?
    Ag1 Ag2 Ag2 1_556 4 0.000(4) ?
    Ag1 Ag2 Ag2 4 4 180.000(9) ?
    S2 Ag2 Ag2 1_445 4 120.2(4) ?
    S2 Ag2 Ag2 2_655 4 120.2(4) ?
    S2 Ag2 Ag2 3_565 4 120.2(4) ?
    S2 Ag2 Ag2 4_665 4 58.0(4) ?
    S2 Ag2 Ag2 6_545 4 58.0(4) ?
    S2 Ag2 Ag2 5_455 4 58.0(4) ?
    Ag1 Ag2 Ag2 1_556 4_554 180.000(12) ?
    Ag1 Ag2 Ag2 4 4_554 0.000(2) ?
    S2 Ag2 Ag2 1_445 4_554 59.8(4) ?
    S2 Ag2 Ag2 2_655 4_554 59.8(4) ?
    S2 Ag2 Ag2 3_565 4_554 59.8(4) ?
    S2 Ag2 Ag2 4_665 4_554 122.0(4) ?
    S2 Ag2 Ag2 6_545 4_554 122.0(4) ?
    S2 Ag2 Ag2 5_455 4_554 122.0(4) ?
    Ag2 Ag2 Ag2 4 4_554 180.000(11) ?
    Ag1 Ag2 Ce 1_556 5_455 111.9(4) ?
    Ag1 Ag2 Ce 4 5_455 68.1(4) ?
    S2 Ag2 Ce 1_445 5_455 53.92(19) ?
    S2 Ag2 Ce 2_655 5_455 127.9(8) ?
    S2 Ag2 Ce 3_565 5_455 53.96(19) ?
    S2 Ag2 Ce 4_665 5_455 126.26(12) ?
    S2 Ag2 Ce 6_545 5_455 126.22(12) ?
    S2 Ag2 Ce 5_455 5_455 53.94(6) ?
    Ag2 Ag2 Ce 4 5_455 111.9(4) ?
    Ag2 Ag2 Ce 4_554 5_455 68.1(4) ?
    Ag1 Ag2 Ce 1_556 4_665 111.9(4) ?
    Ag1 Ag2 Ce 4 4_665 68.1(4) ?
    S2 Ag2 Ce 1_445 4_665 127.9(8) ?
    S2 Ag2 Ce 2_655 4_665 53.96(19) ?
    S2 Ag2 Ce 3_565 4_665 53.92(19) ?
    S2 Ag2 Ce 4_665 4_665 53.94(6) ?
    S2 Ag2 Ce 6_545 4_665 126.26(12) ?
    S2 Ag2 Ce 5_455 4_665 126.22(12) ?
    Ag2 Ag2 Ce 4 4_665 111.9(4) ?
    Ag2 Ag2 Ce 4_554 4_665 68.1(4) ?
    Ce Ag2 Ce 5_455 4_665 106.9(4) ?
    S1 Ge1 S3 1_554 5_564 113.33(5) ?
    S1 Ge1 S3 1_554 6_554 113.33(5) ?
    S3 Ge1 S3 5_564 6_554 105.35(6) ?
    S1 Ge1 S3 1_554 4_664 113.33(5) ?
    S3 Ge1 S3 5_564 4_664 105.35(6) ?
    S3 Ge1 S3 6_554 4_664 105.35(6) ?
    Ge1 S1 Ce 1_556 6 113.33(5) ?
    Ge1 S1 Ce 1_556 4_665 113.33(5) ?
    Ce S1 Ce 6 4_665 105.35(6) ?
    Ge1 S1 Ce 1_556 5_565 113.33(5) ?
    Ce S1 Ce 6 5_565 105.35(6) ?
    Ce S1 Ce 4_665 5_565 105.35(6) ?
    Ag2 S2 Ag2 1_665 4_664 62.23(4) ?
    Ag1 S2 Ce 4_665 5_565 74.99(4) ?
    Ag2 S2 Ce 1_665 5_565 75.84(7) ?
    Ag2 S2 Ce 4_664 5_565 77.96(9) ?
    Ag1 S2 Ce 4_665 6_655 74.95(4) ?
    Ag2 S2 Ce 1_665 6_655 75.80(7) ?
    Ag2 S2 Ce 4_664 6_655 77.93(9) ?
    Ce S2 Ce 5_565 6_655 148.99(6) ?
    Ag1 S2 Ce 4_665 . 99.36(10) ?
    Ag2 S2 Ce 1_665 . 137.0(4) ?
    Ag2 S2 Ce 4_664 . 74.8(4) ?
    Ce S2 Ce 5_565 . 96.12(6) ?
    Ce S2 Ce 6_655 . 96.08(5) ?
    Ag1 S2 Ce 4_665 1_556 113.33(10) ?
    Ag2 S2 Ce 1_665 1_556 75.7(4) ?
    Ag2 S2 Ce 4_664 1_556 137.9(4) ?
    Ce S2 Ce 5_565 1_556 92.49(5) ?
    Ce S2 Ce 6_655 1_556 92.45(5) ?
    Ce S2 Ce . 1_556 147.31(6) ?
    Ge1 S3 Ce 4_665 2_656 91.96(6) ?
    Ge1 S3 Ce 4_665 1_556 88.97(6) ?
    Ce S3 Ce 2_656 1_556 111.29(6) ?
    Ge1 S3 Ce 4_665 5_565 121.90(7) ?
    Ce S3 Ce 2_656 5_565 139.74(7) ?
    Ce S3 Ce 1_556 5_565 92.00(5) ?
data_pr
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.89 Ge Pr3 S7'
_chemical_formula_sum     'Ag0.89 Ge Pr3 S7'
_chemical_formula_weight     815.74
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     10.2290(14)
_cell_length_b     10.2290(14)
_cell_length_c     5.7760(11)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     523.39(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     585
_cell_measurement_theta_min     3.98
_cell_measurement_theta_max     25.00
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.10
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.07
_exptl_crystal_density_diffrn     5.176
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     726
_exptl_absorpt_coefficient_mu     19.504
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.163
_exptl_absorpt_correction_T_max     0.272
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5174
_diffrn_reflns_av_R_equivalents     0.0590
_diffrn_reflns_av_sigmaI/netI     0.0280
_diffrn_reflns_theta_min     3.98
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.994
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -6
_diffrn_reflns_limit_l_max     6
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     602
_reflns_number_gt     585
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0264
_refine_ls_R_factor_gt     0.0246
_refine_ls_wR_factor_gt     0.0509
_refine_ls_wR_factor_ref     0.0514
_refine_ls_goodness_of_fit_ref     1.092
_refine_ls_restrained_S_all     1.091
_refine_ls_number_reflns     602
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0287P)²+1.0320P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     '<0.001'
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     1.222
_refine_diff_density_min     -0.727
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0145(7)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 265 Friedel pairs'
_refine_ls_abs_structure_Flack     0.05(3)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Pr' 'Pr' -0.2180 2.8214
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Pr Pr 0.87391(5) 0.64129(5) 0.23910(18) 0.01118(19) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.1692(9) 0.027(4) Uani d SP 0.49(5) . .
    Ag Ag2 0.0000 0.0000 1.094(18) 0.165(10) Uani d SP 0.41(5) . .
    Ge Ge1 0.3333 0.6667 0.3227(3) 0.0104(4) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9467(7) 0.0131(10) Uani d S 1 . .
    S S2 0.9060(2) 0.7345(3) 0.7230(5) 0.0152(5) Uani d . 1 . .
    S S3 0.5856(3) 0.4788(3) 0.9755(4) 0.0123(5) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Pr S3 3_664 2.863(2) ?
    Pr S2 6_654 2.893(2) ?
    Pr S2 5_564 2.905(2) ?
    Pr S2 . 2.918(3) ?
    Pr S3 1_554 2.980(2) ?
    Pr S1 4_664 3.0293(18) ?
    Pr S3 6_654 3.037(3) ?
    Pr S2 1_554 3.097(3) ?
    Pr Ag1 1_665 3.2492(9) ?
    Pr Ag2 1_664 3.33(3) ?
    Ag1 S2 5_454 2.405(2) ?
    Ag1 S2 4_664 2.405(2) ?
    Ag1 S2 6_544 2.405(2) ?
    Ag1 Ag2 4_554 2.45(11) ?
    Ag1 Ag1 4 2.8880(5) ?
    Ag1 Ag1 4_554 2.8880(5) ?
    Ag1 Pr 2_655 3.2492(9) ?
    Ag1 Pr 1_445 3.2492(9) ?
    Ag1 Pr 3_565 3.2492(9) ?
    Ag1 Ag2 4_553 3.32(11) ?
    Ag2 Ag1 4 2.45(11) ?
    Ag2 S2 4_665 2.50(3) ?
    Ag2 S2 5_455 2.50(3) ?
    Ag2 S2 6_545 2.50(3) ?
    Ag2 Ag2 4 2.8880(6) ?
    Ag2 Ag2 4_554 2.8880(6) ?
    Ag2 Ag1 4_556 3.32(11) ?
    Ag2 Pr 2_656 3.33(3) ?
    Ag2 Pr 3_566 3.33(3) ?
    Ag2 Pr 1_446 3.33(3) ?
    Ge1 S1 1_554 2.172(4) ?
    Ge1 S3 6_554 2.217(3) ?
    Ge1 S3 5_564 2.217(3) ?
    Ge1 S3 4_664 2.217(3) ?
    S1 Ge1 1_556 2.172(4) ?
    S1 Pr 6 3.0293(18) ?
    S1 Pr 4_665 3.0293(18) ?
    S1 Pr 5_565 3.0293(18) ?
    S2 Ag1 4_665 2.405(2) ?
    S2 Ag2 4_664 2.50(3) ?
    S2 Pr 5_565 2.893(2) ?
    S2 Pr 6_655 2.905(2) ?
    S2 Pr 1_556 3.097(3) ?
    S3 Ge1 4_665 2.217(3) ?
    S3 Pr 2_656 2.863(2) ?
    S3 Pr 1_556 2.980(2) ?
    S3 Pr 5_565 3.037(3) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S3 Pr S2 3_664 6_654 105.95(7) ?
    S3 Pr S2 3_664 5_564 140.58(8) ?
    S2 Pr S2 6_654 5_564 90.90(9) ?
    S3 Pr S2 3_664 . 137.04(7) ?
    S2 Pr S2 6_654 . 80.27(7) ?
    S2 Pr S2 5_564 . 80.07(7) ?
    S3 Pr S3 3_664 1_554 74.12(10) ?
    S2 Pr S3 6_654 1_554 142.26(8) ?
    S2 Pr S3 5_564 1_554 71.10(7) ?
    S2 Pr S3 . 1_554 126.16(7) ?
    S3 Pr S1 3_664 4_664 70.35(7) ?
    S2 Pr S1 6_654 4_664 148.00(7) ?
    S2 Pr S1 5_564 4_664 112.28(5) ?
    S2 Pr S1 . 4_664 82.33(9) ?
    S3 Pr S1 1_554 4_664 68.85(7) ?
    S3 Pr S3 3_664 6_654 73.06(5) ?
    S2 Pr S3 6_654 6_654 68.47(7) ?
    S2 Pr S3 5_564 6_654 145.87(8) ?
    S2 Pr S3 . 6_654 70.11(7) ?
    S3 Pr S3 1_554 6_654 140.86(7) ?
    S1 Pr S3 4_664 6_654 80.42(6) ?
    S3 Pr S2 3_664 1_554 72.42(7) ?
    S2 Pr S2 6_654 1_554 77.34(7) ?
    S2 Pr S2 5_564 1_554 77.16(7) ?
    S2 Pr S2 . 1_554 147.58(9) ?
    S3 Pr S2 1_554 1_554 66.61(6) ?
    S1 Pr S2 4_664 1_554 127.77(9) ?
    S3 Pr S2 6_654 1_554 121.21(7) ?
    S3 Pr Ag1 3_664 1_665 134.41(10) ?
    S2 Pr Ag1 6_654 1_665 45.65(5) ?
    S2 Pr Ag1 5_564 1_665 45.59(5) ?
    S2 Pr Ag1 . 1_665 80.43(10) ?
    S3 Pr Ag1 1_554 1_665 106.85(8) ?
    S1 Pr Ag1 4_664 1_665 154.12(8) ?
    S3 Pr Ag1 6_654 1_665 111.23(6) ?
    S2 Pr Ag1 1_554 1_665 67.15(10) ?
    S3 Pr Ag2 3_664 1_664 127.8(16) ?
    S2 Pr Ag2 6_654 1_664 46.7(4) ?
    S2 Pr Ag2 5_564 1_664 46.6(4) ?
    S2 Pr Ag2 . 1_664 87.9(18) ?
    S3 Pr Ag2 1_554 1_664 102.5(11) ?
    S1 Pr Ag2 4_664 1_664 158.3(8) ?
    S3 Pr Ag2 6_654 1_664 114.3(7) ?
    S2 Pr Ag2 1_554 1_664 59.7(18) ?
    Ag1 Pr Ag2 1_665 1_664 7.4(18) ?
    S2 Ag1 S2 5_454 4_664 118.36(6) ?
    S2 Ag1 S2 5_454 6_544 118.36(6) ?
    S2 Ag1 S2 4_664 6_544 118.36(6) ?
    S2 Ag1 Ag2 5_454 4_554 82.58(14) ?
    S2 Ag1 Ag2 4_664 4_554 82.58(13) ?
    S2 Ag1 Ag2 6_544 4_554 82.58(13) ?
    S2 Ag1 Ag1 5_454 4 82.58(13) ?
    S2 Ag1 Ag1 4_664 4 82.58(13) ?
    S2 Ag1 Ag1 6_544 4 82.58(13) ?
    Ag2 Ag1 Ag1 4_554 4 0.000(10) ?
    S2 Ag1 Ag1 5_454 4_554 97.42(13) ?
    S2 Ag1 Ag1 4_664 4_554 97.42(13) ?
    S2 Ag1 Ag1 6_544 4_554 97.42(13) ?
    Ag2 Ag1 Ag1 4_554 4_554 180.000(10) ?
    Ag1 Ag1 Ag1 4 4_554 180.0000(10)
                                   ?
    S2 Ag1 Pr 5_454 2_655 165.4(2) ?
    S2 Ag1 Pr 4_664 2_655 59.32(5) ?
    S2 Ag1 Pr 6_544 2_655 59.62(5) ?
    Ag2 Ag1 Pr 4_554 2_655 82.87(10) ?
    Ag1 Ag1 Pr 4 2_655 82.87(10) ?
    Ag1 Ag1 Pr 4_554 2_655 97.13(10) ?
    S2 Ag1 Pr 5_454 1_445 59.62(5) ?
    S2 Ag1 Pr 4_664 1_445 165.4(2) ?
    S2 Ag1 Pr 6_544 1_445 59.32(5) ?
    Ag2 Ag1 Pr 4_554 1_445 82.87(10) ?
    Ag1 Ag1 Pr 4 1_445 82.87(10) ?
    Ag1 Ag1 Pr 4_554 1_445 97.13(10) ?
    Pr Ag1 Pr 2_655 1_445 118.48(4) ?
    S2 Ag1 Pr 5_454 3_565 59.32(5) ?
    S2 Ag1 Pr 4_664 3_565 59.62(5) ?
    S2 Ag1 Pr 6_544 3_565 165.4(2) ?
    Ag2 Ag1 Pr 4_554 3_565 82.87(10) ?
    Ag1 Ag1 Pr 4 3_565 82.87(10) ?
    Ag1 Ag1 Pr 4_554 3_565 97.13(10) ?
    Pr Ag1 Pr 2_655 3_565 118.48(4) ?
    Pr Ag1 Pr 1_445 3_565 118.48(4) ?
    S2 Ag1 Ag2 5_454 4_553 97.42(13) ?
    S2 Ag1 Ag2 4_664 4_553 97.42(14) ?
    S2 Ag1 Ag2 6_544 4_553 97.42(13) ?
    Ag2 Ag1 Ag2 4_554 4_553 180.000(15) ?
    Ag1 Ag1 Ag2 4 4_553 180.000(5) ?
    Ag1 Ag1 Ag2 4_554 4_553 0.0 ?
    Pr Ag1 Ag2 2_655 4_553 97.13(10) ?
    Pr Ag1 Ag2 1_445 4_553 97.13(10) ?
    Pr Ag1 Ag2 3_565 4_553 97.13(10) ?
    Ag1 Ag2 S2 4 4_665 107(2) ?
    Ag1 Ag2 S2 4 5_455 107(2) ?
    S2 Ag2 S2 4_665 5_455 112(2) ?
    Ag1 Ag2 S2 4 6_545 107(2) ?
    S2 Ag2 S2 4_665 6_545 112(2) ?
    S2 Ag2 S2 5_455 6_545 112(2) ?
    Ag1 Ag2 Ag2 4 4 180.00(3) ?
    S2 Ag2 Ag2 4_665 4 73(2) ?
    S2 Ag2 Ag2 5_455 4 73(2) ?
    S2 Ag2 Ag2 6_545 4 73(2) ?
    Ag1 Ag2 Ag2 4 4_554 0.000(3) ?
    S2 Ag2 Ag2 4_665 4_554 107(2) ?
    S2 Ag2 Ag2 5_455 4_554 107(2) ?
    S2 Ag2 Ag2 6_545 4_554 107(2) ?
    Ag2 Ag2 Ag2 4 4_554 180.00(5) ?
    Ag1 Ag2 Ag1 4 4_556 180.000(2) ?
    S2 Ag2 Ag1 4_665 4_556 73(2) ?
    S2 Ag2 Ag1 5_455 4_556 73(2) ?
    S2 Ag2 Ag1 6_545 4_556 73(2) ?
    Ag2 Ag2 Ag1 4 4_556 0.00(2) ?
    Ag2 Ag2 Ag1 4_554 4_556 180.000(8) ?
    Ag1 Ag2 Pr 4 2_656 104.6(18) ?
    S2 Ag2 Pr 4_665 2_656 57.4(6) ?
    S2 Ag2 Pr 5_455 2_656 148(4) ?
    S2 Ag2 Pr 6_545 2_656 57.7(6) ?
    Ag2 Ag2 Pr 4 2_656 75.4(17) ?
    Ag2 Ag2 Pr 4_554 2_656 104.6(18) ?
    Ag1 Ag2 Pr 4_556 2_656 75.4(18) ?
    Ag1 Ag2 Pr 4 3_566 104.6(18) ?
    S2 Ag2 Pr 4_665 3_566 57.7(6) ?
    S2 Ag2 Pr 5_455 3_566 57.4(6) ?
    S2 Ag2 Pr 6_545 3_566 148(4) ?
    Ag2 Ag2 Pr 4 3_566 75.4(18) ?
    Ag2 Ag2 Pr 4_554 3_566 104.6(18) ?
    Ag1 Ag2 Pr 4_556 3_566 75.4(18) ?
    Pr Ag2 Pr 2_656 3_566 113.9(14) ?
    Ag1 Ag2 Pr 4 1_446 104.6(18) ?
    S2 Ag2 Pr 4_665 1_446 148(4) ?
    S2 Ag2 Pr 5_455 1_446 57.7(6) ?
    S2 Ag2 Pr 6_545 1_446 57.4(6) ?
    Ag2 Ag2 Pr 4 1_446 75.4(18) ?
    Ag2 Ag2 Pr 4_554 1_446 104.6(18) ?
    Ag1 Ag2 Pr 4_556 1_446 75.4(18) ?
    Pr Ag2 Pr 2_656 1_446 113.9(14) ?
    Pr Ag2 Pr 3_566 1_446 113.9(14) ?
    S1 Ge1 S3 1_554 6_554 113.47(7) ?
    S1 Ge1 S3 1_554 5_564 113.47(7) ?
    S3 Ge1 S3 6_554 5_564 105.19(8) ?
    S1 Ge1 S3 1_554 4_664 113.47(7) ?
    S3 Ge1 S3 6_554 4_664 105.19(8) ?
    S3 Ge1 S3 5_564 4_664 105.19(8) ?
    Ge1 S1 Pr 1_556 6 113.32(8) ?
    Ge1 S1 Pr 1_556 4_665 113.32(8) ?
    Pr S1 Pr 6 4_665 105.37(9) ?
    Ge1 S1 Pr 1_556 5_565 113.32(8) ?
    Pr S1 Pr 6 5_565 105.37(9) ?
    Pr S1 Pr 4_665 5_565 105.37(9) ?
    Ag1 S2 Pr 4_665 5_565 75.03(6) ?
    Ag2 S2 Pr 4_664 5_565 75.9(3) ?
    Ag1 S2 Pr 4_665 6_655 74.79(6) ?
    Ag2 S2 Pr 4_664 6_655 75.7(3) ?
    Pr S2 Pr 5_565 6_655 148.83(9) ?
    Ag1 S2 Pr 4_665 . 99.29(15) ?
    Ag2 S2 Pr 4_664 . 89(2) ?
    Pr S2 Pr 5_565 . 96.30(8) ?
    Pr S2 Pr 6_655 . 96.03(8) ?
    Ag1 S2 Pr 4_665 1_556 113.13(15) ?
    Ag2 S2 Pr 4_664 1_556 123(2) ?
    Pr S2 Pr 5_565 1_556 92.49(8) ?
    Pr S2 Pr 6_655 1_556 92.25(8) ?
    Pr S2 Pr . 1_556 147.58(9) ?
    Ge1 S3 Pr 4_665 2_656 91.85(9) ?
    Ge1 S3 Pr 4_665 1_556 88.84(8) ?
    Pr S3 Pr 2_656 1_556 111.09(8) ?
    Ge1 S3 Pr 4_665 5_565 121.46(10) ?
    Pr S3 Pr 2_656 5_565 140.32(9) ?
    Pr S3 Pr 1_556 5_565 92.01(7) ?
data_nd
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.84 Ge Nd3 S7'
_chemical_formula_sum     'Ag0.84 Ge Nd3 S7'
_chemical_formula_weight     819.80
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     10.1930(14)
_cell_length_b     10.1930(14)
_cell_length_c     5.7693(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     519.11(15)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     700
_cell_measurement_theta_min     4.22
_cell_measurement_theta_max     26.37
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.11
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     5.245
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     726
_exptl_absorpt_coefficient_mu     20.488
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.093
_exptl_absorpt_correction_T_max     0.261
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5463
_diffrn_reflns_av_R_equivalents     0.0380
_diffrn_reflns_av_sigmaI/netI     0.0216
_diffrn_reflns_theta_min     4.22
_diffrn_reflns_theta_max     26.37
_diffrn_reflns_theta_full     26.37
_diffrn_measured_fraction_theta_max     0.987
_diffrn_measured_fraction_theta_full     0.987
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     713
_reflns_number_gt     700
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0161
_refine_ls_R_factor_gt     0.0156
_refine_ls_wR_factor_gt     0.0345
_refine_ls_wR_factor_ref     0.0346
_refine_ls_goodness_of_fit_ref     1.078
_refine_ls_restrained_S_all     1.078
_refine_ls_number_reflns     713
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0193P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.716
_refine_diff_density_min     -0.745
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0335(7)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 320 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.027(19)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Nd' 'Nd' -0.1943 3.0179
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Nd Nd 0.87317(3) 0.64140(3) 0.24353(16) 0.01001(11) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.159(2) 0.053(4) Uani d SP 0.69(2) . .
    Ag Ag2 0.0000 0.0000 0.971(7) 0.029(9) Uani d SP 0.15(2) . .
    Ge Ge1 0.3333 0.6667 0.3272(2) 0.0087(2) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9504(4) 0.0110(5) Uani d S 1 . .
    S S2 0.90545(14) 0.73476(15) 0.7252(3) 0.0140(3) Uani d . 1 . .
    S S3 0.58466(16) 0.47936(16) 0.9818(3) 0.0103(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Nd S3 3_664 2.8538(14) ?
    Nd S2 6_654 2.8792(13) ?
    Nd S2 5_564 2.8935(13) ?
    Nd S2 . 2.9025(19) ?
    Nd S3 1_554 2.9664(15) ?
    Nd S1 4_664 3.0174(11) ?
    Nd S3 6_654 3.0316(15) ?
    Nd S2 1_554 3.1051(19) ?
    Nd Ag1 1_665 3.247(2) ?
    Nd Ag2 4_664 3.467(15) ?
    Nd Ag2 1_664 3.576(17) ?
    Ag1 Ag2 1_554 1.09(3) ?
    Ag1 Ag2 4_554 1.80(3) ?
    Ag1 S2 4_664 2.404(2) ?
    Ag1 S2 5_454 2.404(2) ?
    Ag1 S2 6_544 2.404(2) ?
    Ag1 Ag1 4_554 2.8846(6) ?
    Ag1 Ag1 4 2.8846(6) ?
    Ag1 Nd 2_655 3.247(2) ?
    Ag1 Nd 1_445 3.247(2) ?
    Ag1 Nd 3_565 3.247(2) ?
    Ag2 Ag1 1_556 1.09(3) ?
    Ag2 Ag1 4 1.80(3) ?
    Ag2 S2 1_445 2.76(2) ?
    Ag2 S2 3_565 2.76(2) ?
    Ag2 S2 2_655 2.76(2) ?
    Ag2 S2 4_665 2.79(2) ?
    Ag2 S2 6_545 2.79(2) ?
    Ag2 S2 5_455 2.79(2) ?
    Ag2 Ag2 4_554 2.8846(6) ?
    Ag2 Ag2 4 2.8846(6) ?
    Ag2 Nd 5_455 3.467(15) ?
    Ag2 Nd 4_665 3.467(15) ?
    Ge1 S1 1_554 2.174(3) ?
    Ge1 S3 5_564 2.2256(16) ?
    Ge1 S3 6_554 2.2256(16) ?
    Ge1 S3 4_664 2.2256(16) ?
    S1 Ge1 1_556 2.174(3) ?
    S1 Nd 6 3.0174(11) ?
    S1 Nd 4_665 3.0174(11) ?
    S1 Nd 5_565 3.0174(11) ?
    S2 Ag1 4_665 2.404(2) ?
    S2 Ag2 1_665 2.76(2) ?
    S2 Ag2 4_664 2.79(2) ?
    S2 Nd 5_565 2.8792(13) ?
    S2 Nd 6_655 2.8935(13) ?
    S2 Nd 1_556 3.1051(19) ?
    S3 Ge1 4_665 2.2256(16) ?
    S3 Nd 2_656 2.8538(14) ?
    S3 Nd 1_556 2.9664(15) ?
    S3 Nd 5_565 3.0316(15) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S3 Nd S2 3_664 6_654 105.37(4) ?
    S3 Nd S2 3_664 5_564 140.80(5) ?
    S2 Nd S2 6_654 5_564 90.81(5) ?
    S3 Nd S2 3_664 . 136.85(4) ?
    S2 Nd S2 6_654 . 80.49(4) ?
    S2 Nd S2 5_564 . 80.26(4) ?
    S3 Nd S3 3_664 1_554 74.70(6) ?
    S2 Nd S3 6_654 1_554 142.13(5) ?
    S2 Nd S3 5_564 1_554 70.99(4) ?
    S2 Nd S3 . 1_554 126.04(4) ?
    S3 Nd S1 3_664 4_664 70.38(4) ?
    S2 Nd S1 6_654 4_664 147.99(4) ?
    S2 Nd S1 5_564 4_664 112.70(3) ?
    S2 Nd S1 . 4_664 82.43(5) ?
    S3 Nd S1 1_554 4_664 68.92(4) ?
    S3 Nd S3 3_664 6_654 72.75(3) ?
    S2 Nd S3 6_654 6_654 68.73(4) ?
    S2 Nd S3 5_564 6_654 145.91(5) ?
    S2 Nd S3 . 6_654 69.95(4) ?
    S3 Nd S3 1_554 6_654 140.86(4) ?
    S1 Nd S3 4_664 6_654 80.04(3) ?
    S3 Nd S2 3_664 1_554 72.46(4) ?
    S2 Nd S2 6_654 1_554 77.15(4) ?
    S2 Nd S2 5_564 1_554 76.94(4) ?
    S2 Nd S2 . 1_554 147.60(5) ?
    S3 Nd S2 1_554 1_554 66.67(4) ?
    S1 Nd S2 4_664 1_554 127.71(5) ?
    S3 Nd S2 6_654 1_554 121.46(4) ?
    S3 Nd Ag1 3_664 1_665 132.9(2) ?
    S2 Nd Ag1 6_654 1_665 45.72(3) ?
    S2 Nd Ag1 5_564 1_665 45.64(3) ?
    S2 Nd Ag1 . 1_665 81.9(2) ?
    S3 Nd Ag1 1_554 1_665 106.03(13) ?
    S1 Nd Ag1 4_664 1_665 155.33(14) ?
    S3 Nd Ag1 6_654 1_665 111.93(10) ?
    S2 Nd Ag1 1_554 1_665 65.7(2) ?
    S3 Nd Ag2 3_664 4_664 155.8(3) ?
    S2 Nd Ag2 6_654 4_664 50.6(2) ?
    S2 Nd Ag2 5_564 4_664 50.5(2) ?
    S2 Nd Ag2 . 4_664 51.0(6) ?
    S3 Nd Ag2 1_554 4_664 121.5(2) ?
    S1 Nd Ag2 4_664 4_664 130.2(5) ?
    S3 Nd Ag2 6_654 4_664 96.6(3) ?
    S2 Nd Ag2 1_554 4_664 96.6(6) ?
    Ag1 Nd Ag2 1_665 4_664 30.8(4) ?
    S3 Nd Ag2 3_664 1_664 117.2(5) ?
    S2 Nd Ag2 6_654 1_664 49.8(2) ?
    S2 Nd Ag2 5_564 1_664 49.8(2) ?
    S2 Nd Ag2 . 1_664 99.4(6) ?
    S3 Nd Ag2 1_554 1_664 95.5(3) ?
    S1 Nd Ag2 4_664 1_664 160.99(5) ?
    S3 Nd Ag2 6_654 1_664 118.49(18) ?
    S2 Nd Ag2 1_554 1_664 48.2(6) ?
    Ag1 Nd Ag2 1_665 1_664 17.5(3) ?
    Ag2 Nd Ag2 4_664 1_664 48.32(4) ?
    Ag2 Ag1 Ag2 1_554 4_554 180.000(4) ?
    Ag2 Ag1 S2 1_554 4_664 99.1(3) ?
    Ag2 Ag1 S2 4_554 4_664 80.9(3) ?
    Ag2 Ag1 S2 1_554 5_454 99.1(3) ?
    Ag2 Ag1 S2 4_554 5_454 80.9(3) ?
    S2 Ag1 S2 4_664 5_454 117.52(16) ?
    Ag2 Ag1 S2 1_554 6_544 99.1(3) ?
    Ag2 Ag1 S2 4_554 6_544 80.9(3) ?
    S2 Ag1 S2 4_664 6_544 117.52(16) ?
    S2 Ag1 S2 5_454 6_544 117.52(16) ?
    Ag2 Ag1 Ag1 1_554 4_554 0.0000(10)
                                     ?
    Ag2 Ag1 Ag1 4_554 4_554 180.000(5) ?
    S2 Ag1 Ag1 4_664 4_554 99.1(3) ?
    S2 Ag1 Ag1 5_454 4_554 99.1(3) ?
    S2 Ag1 Ag1 6_544 4_554 99.1(3) ?
    Ag2 Ag1 Ag1 1_554 4 180.0000(10)
                                   ?
    Ag2 Ag1 Ag1 4_554 4 0.000(4) ?
    S2 Ag1 Ag1 4_664 4 80.9(3) ?
    S2 Ag1 Ag1 5_454 4 80.9(3) ?
    S2 Ag1 Ag1 6_544 4 80.9(3) ?
    Ag1 Ag1 Ag1 4_554 4 180.0000(10)
                                   ?
    Ag2 Ag1 Nd 1_554 2_655 98.6(2) ?
    Ag2 Ag1 Nd 4_554 2_655 81.4(2) ?
    S2 Ag1 Nd 4_664 2_655 59.03(5) ?
    S2 Ag1 Nd 5_454 2_655 162.2(5) ?
    S2 Ag1 Nd 6_544 2_655 59.39(5) ?
    Ag1 Ag1 Nd 4_554 2_655 98.6(2) ?
    Ag1 Ag1 Nd 4 2_655 81.4(2) ?
    Ag2 Ag1 Nd 1_554 1_445 98.6(2) ?
    Ag2 Ag1 Nd 4_554 1_445 81.4(2) ?
    S2 Ag1 Nd 4_664 1_445 162.2(5) ?
    S2 Ag1 Nd 5_454 1_445 59.39(5) ?
    S2 Ag1 Nd 6_544 1_445 59.03(5) ?
    Ag1 Ag1 Nd 4_554 1_445 98.6(2) ?
    Ag1 Ag1 Nd 4 1_445 81.4(2) ?
    Nd Ag1 Nd 2_655 1_445 117.79(11) ?
    Ag2 Ag1 Nd 1_554 3_565 98.6(2) ?
    Ag2 Ag1 Nd 4_554 3_565 81.4(2) ?
    S2 Ag1 Nd 4_664 3_565 59.39(5) ?
    S2 Ag1 Nd 5_454 3_565 59.03(5) ?
    S2 Ag1 Nd 6_544 3_565 162.2(5) ?
    Ag1 Ag1 Nd 4_554 3_565 98.6(2) ?
    Ag1 Ag1 Nd 4 3_565 81.4(2) ?
    Nd Ag1 Nd 2_655 3_565 117.79(11) ?
    Nd Ag1 Nd 1_445 3_565 117.79(11) ?
    Ag1 Ag2 Ag1 1_556 4 180.000(12) ?
    Ag1 Ag2 S2 1_556 1_445 120.8(7) ?
    Ag1 Ag2 S2 4 1_445 59.2(7) ?
    Ag1 Ag2 S2 1_556 3_565 120.8(7) ?
    Ag1 Ag2 S2 4 3_565 59.2(7) ?
    S2 Ag2 S2 1_445 3_565 96.1(9) ?
    Ag1 Ag2 S2 1_556 2_655 120.8(7) ?
    Ag1 Ag2 S2 4 2_655 59.2(7) ?
    S2 Ag2 S2 1_445 2_655 96.1(9) ?
    S2 Ag2 S2 3_565 2_655 96.1(9) ?
    Ag1 Ag2 S2 1_556 4_665 58.2(7) ?
    Ag1 Ag2 S2 4 4_665 121.8(7) ?
    S2 Ag2 S2 1_445 4_665 179.0(14) ?
    S2 Ag2 S2 3_565 4_665 84.52(3) ?
    S2 Ag2 S2 2_655 4_665 84.52(3) ?
    Ag1 Ag2 S2 1_556 6_545 58.2(7) ?
    Ag1 Ag2 S2 4 6_545 121.8(7) ?
    S2 Ag2 S2 1_445 6_545 84.52(3) ?
    S2 Ag2 S2 3_565 6_545 179.0(14) ?
    S2 Ag2 S2 2_655 6_545 84.52(3) ?
    S2 Ag2 S2 4_665 6_545 94.8(9) ?
    Ag1 Ag2 S2 1_556 5_455 58.2(7) ?
    Ag1 Ag2 S2 4 5_455 121.8(7) ?
    S2 Ag2 S2 1_445 5_455 84.52(3) ?
    S2 Ag2 S2 3_565 5_455 84.52(3) ?
    S2 Ag2 S2 2_655 5_455 179.0(14) ?
    S2 Ag2 S2 4_665 5_455 94.8(9) ?
    S2 Ag2 S2 6_545 5_455 94.8(9) ?
    Ag1 Ag2 Ag2 1_556 4_554 180.00(2) ?
    Ag1 Ag2 Ag2 4 4_554 0.0000(10)
                                 ?
    S2 Ag2 Ag2 1_445 4_554 59.2(7) ?
    S2 Ag2 Ag2 3_565 4_554 59.2(7) ?
    S2 Ag2 Ag2 2_655 4_554 59.2(7) ?
    S2 Ag2 Ag2 4_665 4_554 121.8(7) ?
    S2 Ag2 Ag2 6_545 4_554 121.8(7) ?
    S2 Ag2 Ag2 5_455 4_554 121.8(7) ?
    Ag1 Ag2 Ag2 1_556 4 0.000(4) ?
    Ag1 Ag2 Ag2 4 4 180.000(15) ?
    S2 Ag2 Ag2 1_445 4 120.8(7) ?
    S2 Ag2 Ag2 3_565 4 120.8(7) ?
    S2 Ag2 Ag2 2_655 4 120.8(7) ?
    S2 Ag2 Ag2 4_665 4 58.2(7) ?
    S2 Ag2 Ag2 6_545 4 58.2(7) ?
    S2 Ag2 Ag2 5_455 4 58.2(7) ?
    Ag2 Ag2 Ag2 4_554 4 180.000(13) ?
    Ag1 Ag2 Nd 1_556 5_455 112.2(6) ?
    Ag1 Ag2 Nd 4 5_455 67.8(6) ?
    S2 Ag2 Nd 1_445 5_455 53.6(3) ?
    S2 Ag2 Nd 3_565 5_455 53.9(3) ?
    S2 Ag2 Nd 2_655 5_455 127.0(13) ?
    S2 Ag2 Nd 4_665 5_455 126.48(18) ?
    S2 Ag2 Nd 6_545 5_455 126.18(18) ?
    S2 Ag2 Nd 5_455 5_455 53.96(9) ?
    Ag2 Ag2 Nd 4_554 5_455 67.8(6) ?
    Ag2 Ag2 Nd 4 5_455 112.2(6) ?
    Ag1 Ag2 Nd 1_556 4_665 112.2(6) ?
    Ag1 Ag2 Nd 4 4_665 67.8(6) ?
    S2 Ag2 Nd 1_445 4_665 127.0(13) ?
    S2 Ag2 Nd 3_565 4_665 53.6(3) ?
    S2 Ag2 Nd 2_655 4_665 53.9(3) ?
    S2 Ag2 Nd 4_665 4_665 53.96(9) ?
    S2 Ag2 Nd 6_545 4_665 126.48(18) ?
    S2 Ag2 Nd 5_455 4_665 126.18(18) ?
    Ag2 Ag2 Nd 4_554 4_665 67.8(6) ?
    Ag2 Ag2 Nd 4 4_665 112.2(6) ?
    Nd Ag2 Nd 5_455 4_665 106.6(6) ?
    S1 Ge1 S3 1_554 5_564 113.61(4) ?
    S1 Ge1 S3 1_554 6_554 113.61(4) ?
    S3 Ge1 S3 5_564 6_554 105.03(5) ?
    S1 Ge1 S3 1_554 4_664 113.61(4) ?
    S3 Ge1 S3 5_564 4_664 105.03(5) ?
    S3 Ge1 S3 6_554 4_664 105.03(5) ?
    Ge1 S1 Nd 1_556 6 113.29(4) ?
    Ge1 S1 Nd 1_556 4_665 113.29(4) ?
    Nd S1 Nd 6 4_665 105.39(5) ?
    Ge1 S1 Nd 1_556 5_565 113.29(4) ?
    Nd S1 Nd 6 5_565 105.39(5) ?
    Nd S1 Nd 4_665 5_565 105.39(5) ?
    Ag2 S2 Ag2 1_665 4_664 62.57(3) ?
    Ag1 S2 Nd 4_665 5_565 75.25(5) ?
    Ag2 S2 Nd 1_665 5_565 75.80(9) ?
    Ag2 S2 Nd 4_664 5_565 78.17(13) ?
    Ag1 S2 Nd 4_665 6_655 74.97(4) ?
    Ag2 S2 Nd 1_665 6_655 75.57(9) ?
    Ag2 S2 Nd 4_664 6_655 77.93(13) ?
    Nd S2 Nd 5_565 6_655 148.84(5) ?
    Ag1 S2 Nd 4_665 . 97.6(3) ?
    Ag2 S2 Nd 1_665 . 137.6(7) ?
    Ag2 S2 Nd 4_664 . 75.0(7) ?
    Nd S2 Nd 5_565 . 96.58(5) ?
    Nd S2 Nd 6_655 . 96.26(5) ?
    Ag1 S2 Nd 4_665 1_556 114.8(3) ?
    Ag2 S2 Nd 1_665 1_556 74.8(7) ?
    Ag2 S2 Nd 4_664 1_556 137.4(7) ?
    Nd S2 Nd 5_565 1_556 92.23(4) ?
    Nd S2 Nd 6_655 1_556 91.96(4) ?
    Nd S2 Nd . 1_556 147.60(5) ?
    Ge1 S3 Nd 4_665 2_656 91.59(5) ?
    Ge1 S3 Nd 4_665 1_556 88.68(5) ?
    Nd S3 Nd 2_656 1_556 111.12(5) ?
    Ge1 S3 Nd 4_665 5_565 120.99(6) ?
    Nd S3 Nd 2_656 5_565 140.93(6) ?
    Nd S3 Nd 1_556 5_565 92.03(4) ?
data_sm
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.74 Ge S7 Sm3'
_chemical_formula_sum     'Ag0.74 Ge S7 Sm3'
_chemical_formula_weight     827.34
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     10.0809(14)
_cell_length_b     10.0809(14)
_cell_length_c     5.7604(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     506.97(15)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     601
_cell_measurement_theta_min     4.24
_cell_measurement_theta_max     25.31
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.13
_exptl_crystal_size_mid     0.11
_exptl_crystal_size_min     0.09
_exptl_crystal_density_diffrn     5.420
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     729
_exptl_absorpt_coefficient_mu     22.803
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.029
_exptl_absorpt_correction_T_max     0.242
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     4935
_diffrn_reflns_av_R_equivalents     0.0461
_diffrn_reflns_av_sigmaI/netI     0.0193
_diffrn_reflns_theta_min     4.24
_diffrn_reflns_theta_max     25.31
_diffrn_reflns_theta_full     25.31
_diffrn_measured_fraction_theta_max     0.988
_diffrn_measured_fraction_theta_full     0.988
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -6
_diffrn_reflns_limit_l_max     6
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     604
_reflns_number_gt     601
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0142
_refine_ls_R_factor_gt     0.0140
_refine_ls_wR_factor_gt     0.0344
_refine_ls_wR_factor_ref     0.0344
_refine_ls_goodness_of_fit_ref     1.169
_refine_ls_restrained_S_all     1.168
_refine_ls_number_reflns     604
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0181P)²+0.5015P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.699
_refine_diff_density_min     -0.511
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0097(4)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 270 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.029(18)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Sm' 'Sm' -0.1638 3.4418
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Sm Sm 0.87145(3) 0.64163(2) 0.24346(12) 0.00914(12) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.137(3) 0.075(5) Uani d SP 0.548(18) . .
    Ag Ag2 0.0000 0.0000 0.967(3) 0.020(4) Uani d SP 0.187(18) . .
    Ge Ge1 0.3333 0.6667 0.32606(16) 0.0069(2) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9482(4) 0.0092(5) Uani d S 1 . .
    S S2 0.90414(13) 0.73662(14) 0.7212(2) 0.0140(3) Uani d . 1 . .
    S S3 0.58278(15) 0.47996(14) 0.9828(2) 0.0091(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Sm S3 3_664 2.8332(13) ?
    Sm S2 6_654 2.8336(12) ?
    Sm S2 5_564 2.8602(12) ?
    Sm S2 . 2.8780(17) ?
    Sm S3 1_554 2.9389(14) ?
    Sm S1 4_664 2.9825(10) ?
    Sm S3 6_654 3.0127(13) ?
    Sm S2 1_554 3.1243(17) ?
    Sm Ag1 1_665 3.229(3) ?
    Sm Ag2 4_664 3.421(6) ?
    Sm Ag2 1_664 3.548(8) ?
    Ag1 Ag2 1_554 0.981(7) ?
    Ag1 Ag2 4_554 1.899(7) ?
    Ag1 S2 4_664 2.378(4) ?
    Ag1 S2 6_544 2.378(4) ?
    Ag1 S2 5_454 2.378(4) ?
    Ag1 Ag1 4_554 2.8802(6) ?
    Ag1 Ag1 4 2.8802(6) ?
    Ag1 Sm 2_655 3.229(3) ?
    Ag1 Sm 1_445 3.229(3) ?
    Ag1 Sm 3_565 3.229(3) ?
    Ag2 Ag1 1_556 0.981(7) ?
    Ag2 Ag1 4 1.899(7) ?
    Ag2 S2 1_445 2.724(9) ?
    Ag2 S2 3_565 2.724(9) ?
    Ag2 S2 2_655 2.724(9) ?
    Ag2 S2 4_665 2.751(9) ?
    Ag2 S2 6_545 2.751(9) ?
    Ag2 S2 5_455 2.751(9) ?
    Ag2 Ag2 4_554 2.8802(6) ?
    Ag2 Ag2 4 2.8802(6) ?
    Ag2 Sm 5_455 3.421(6) ?
    Ag2 Sm 4_665 3.421(6) ?
    Ge1 S1 1_554 2.177(2) ?
    Ge1 S3 5_564 2.2281(14) ?
    Ge1 S3 6_554 2.2281(14) ?
    Ge1 S3 4_664 2.2281(14) ?
    S1 Ge1 1_556 2.177(2) ?
    S1 Sm 6 2.9825(10) ?
    S1 Sm 4_665 2.9825(10) ?
    S1 Sm 5_565 2.9825(10) ?
    S2 Ag1 4_665 2.378(4) ?
    S2 Ag2 1_665 2.724(9) ?
    S2 Ag2 4_664 2.751(9) ?
    S2 Sm 5_565 2.8336(12) ?
    S2 Sm 6_655 2.8602(12) ?
    S2 Sm 1_556 3.1243(17) ?
    S3 Ge1 4_665 2.2281(14) ?
    S3 Sm 2_656 2.8332(13) ?
    S3 Sm 1_556 2.9389(14) ?
    S3 Sm 5_565 3.0127(13) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S3 Sm S2 3_664 6_654 104.33(4) ?
    S3 Sm S2 3_664 5_564 141.02(5) ?
    S2 Sm S2 6_654 5_564 90.15(5) ?
    S3 Sm S2 3_664 . 137.02(4) ?
    S2 Sm S2 6_654 . 80.83(4) ?
    S2 Sm S2 5_564 . 80.38(4) ?
    S3 Sm S3 3_664 1_554 75.34(5) ?
    S2 Sm S3 6_654 1_554 141.56(4) ?
    S2 Sm S3 5_564 1_554 71.24(4) ?
    S2 Sm S3 . 1_554 126.16(4) ?
    S3 Sm S1 3_664 4_664 70.70(4) ?
    S2 Sm S1 6_654 4_664 148.01(4) ?
    S2 Sm S1 5_564 4_664 113.86(3) ?
    S2 Sm S1 . 4_664 82.71(5) ?
    S3 Sm S1 1_554 4_664 69.31(4) ?
    S3 Sm S3 3_664 6_654 72.32(3) ?
    S2 Sm S3 6_654 6_654 69.33(3) ?
    S2 Sm S3 5_564 6_654 145.90(4) ?
    S2 Sm S3 . 6_654 69.94(4) ?
    S3 Sm S3 1_554 6_654 140.72(3) ?
    S1 Sm S3 4_664 6_654 79.31(3) ?
    S3 Sm S2 3_664 1_554 72.34(4) ?
    S2 Sm S2 6_654 1_554 76.69(4) ?
    S2 Sm S2 5_564 1_554 76.31(4) ?
    S2 Sm S2 . 1_554 147.33(5) ?
    S3 Sm S2 1_554 1_554 66.51(4) ?
    S1 Sm S2 4_664 1_554 127.74(5) ?
    S3 Sm S2 6_654 1_554 121.84(3) ?
    S3 Sm Ag1 3_664 1_665 130.3(3) ?
    S2 Sm Ag1 6_654 1_665 45.60(4) ?
    S2 Sm Ag1 5_564 1_665 45.47(4) ?
    S2 Sm Ag1 . 1_665 83.9(3) ?
    S3 Sm Ag1 1_554 1_665 104.81(18) ?
    S1 Sm Ag1 4_664 1_665 157.29(18) ?
    S3 Sm Ag1 6_654 1_665 112.96(14) ?
    S2 Sm Ag1 1_554 1_665 63.4(3) ?
    S3 Sm Ag2 3_664 4_664 154.81(13) ?
    S2 Sm Ag2 6_654 4_664 50.57(10) ?
    S2 Sm Ag2 5_564 4_664 50.43(10) ?
    S2 Sm Ag2 . 4_664 50.9(3) ?
    S3 Sm Ag2 1_554 4_664 121.66(11) ?
    S1 Sm Ag2 4_664 4_664 130.6(2) ?
    S3 Sm Ag2 6_654 4_664 96.56(15) ?
    S2 Sm Ag2 1_554 4_664 96.4(3) ?
    Ag1 Sm Ag2 1_665 4_664 33.03(12) ?
    S3 Sm Ag2 3_664 1_664 116.2(2) ?
    S2 Sm Ag2 6_654 1_664 49.52(9) ?
    S2 Sm Ag2 5_564 1_664 49.42(9) ?
    S2 Sm Ag2 . 1_664 99.7(2) ?
    S3 Sm Ag2 1_554 1_664 95.24(15) ?
    S1 Sm Ag2 4_664 1_664 161.57(3) ?
    S3 Sm Ag2 6_654 1_664 118.78(8) ?
    S2 Sm Ag2 1_554 1_664 47.7(2) ?
    Ag1 Sm Ag2 1_665 1_664 15.75(13) ?
    Ag2 Sm Ag2 4_664 1_664 48.78(2) ?
    Ag2 Ag1 Ag2 1_554 4_554 180.000(2) ?
    Ag2 Ag1 S2 1_554 4_664 101.8(4) ?
    Ag2 Ag1 S2 4_554 4_664 78.2(4) ?
    Ag2 Ag1 S2 1_554 6_544 101.8(4) ?
    Ag2 Ag1 S2 4_554 6_544 78.2(4) ?
    S2 Ag1 S2 4_664 6_544 116.0(3) ?
    Ag2 Ag1 S2 1_554 5_454 101.8(4) ?
    Ag2 Ag1 S2 4_554 5_454 78.2(4) ?
    S2 Ag1 S2 4_664 5_454 116.0(3) ?
    S2 Ag1 S2 6_544 5_454 116.0(3) ?
    Ag2 Ag1 Ag1 1_554 4_554 0.0000(10)
                                     ?
    Ag2 Ag1 Ag1 4_554 4_554 180.000(2) ?
    S2 Ag1 Ag1 4_664 4_554 101.8(4) ?
    S2 Ag1 Ag1 6_544 4_554 101.8(4) ?
    S2 Ag1 Ag1 5_454 4_554 101.8(4) ?
    Ag2 Ag1 Ag1 1_554 4 180.0000(10)
                                   ?
    Ag2 Ag1 Ag1 4_554 4 0.0000(10)
                                 ?
    S2 Ag1 Ag1 4_664 4 78.2(4) ?
    S2 Ag1 Ag1 6_544 4 78.2(4) ?
    S2 Ag1 Ag1 5_454 4 78.2(4) ?
    Ag1 Ag1 Ag1 4_554 4 180.000(2) ?
    Ag2 Ag1 Sm 1_554 2_655 100.9(3) ?
    Ag2 Ag1 Sm 4_554 2_655 79.1(3) ?
    S2 Ag1 Sm 4_664 2_655 58.38(8) ?
    S2 Ag1 Sm 6_544 2_655 59.04(8) ?
    S2 Ag1 Sm 5_454 2_655 157.3(7) ?
    Ag1 Ag1 Sm 4_554 2_655 100.9(3) ?
    Ag1 Ag1 Sm 4 2_655 79.1(3) ?
    Ag2 Ag1 Sm 1_554 1_445 100.9(3) ?
    Ag2 Ag1 Sm 4_554 1_445 79.1(3) ?
    S2 Ag1 Sm 4_664 1_445 157.3(7) ?
    S2 Ag1 Sm 6_544 1_445 58.38(8) ?
    S2 Ag1 Sm 5_454 1_445 59.04(8) ?
    Ag1 Ag1 Sm 4_554 1_445 100.9(3) ?
    Ag1 Ag1 Sm 4 1_445 79.1(3) ?
    Sm Ag1 Sm 2_655 1_445 116.48(19) ?
    Ag2 Ag1 Sm 1_554 3_565 100.9(3) ?
    Ag2 Ag1 Sm 4_554 3_565 79.1(3) ?
    S2 Ag1 Sm 4_664 3_565 59.04(8) ?
    S2 Ag1 Sm 6_544 3_565 157.3(7) ?
    S2 Ag1 Sm 5_454 3_565 58.38(8) ?
    Ag1 Ag1 Sm 4_554 3_565 100.9(3) ?
    Ag1 Ag1 Sm 4 3_565 79.1(3) ?
    Sm Ag1 Sm 2_655 3_565 116.48(19) ?
    Sm Ag1 Sm 1_445 3_565 116.48(19) ?
    Ag1 Ag2 Ag1 1_556 4 180.000(18) ?
    Ag1 Ag2 S2 1_556 1_445 121.3(3) ?
    Ag1 Ag2 S2 4 1_445 58.7(3) ?
    Ag1 Ag2 S2 1_556 3_565 121.3(3) ?
    Ag1 Ag2 S2 4 3_565 58.7(3) ?
    S2 Ag2 S2 1_445 3_565 95.5(4) ?
    Ag1 Ag2 S2 1_556 2_655 121.3(3) ?
    Ag1 Ag2 S2 4 2_655 58.7(3) ?
    S2 Ag2 S2 1_445 2_655 95.5(4) ?
    S2 Ag2 S2 3_565 2_655 95.5(4) ?
    Ag1 Ag2 S2 1_556 4_665 57.8(3) ?
    Ag1 Ag2 S2 4 4_665 122.2(3) ?
    S2 Ag2 S2 1_445 4_665 179.1(6) ?
    S2 Ag2 S2 3_565 4_665 85.13(2) ?
    S2 Ag2 S2 2_655 4_665 85.13(2) ?
    Ag1 Ag2 S2 1_556 6_545 57.8(3) ?
    Ag1 Ag2 S2 4 6_545 122.2(3) ?
    S2 Ag2 S2 1_445 6_545 85.13(2) ?
    S2 Ag2 S2 3_565 6_545 179.1(6) ?
    S2 Ag2 S2 2_655 6_545 85.13(2) ?
    S2 Ag2 S2 4_665 6_545 94.2(4) ?
    Ag1 Ag2 S2 1_556 5_455 57.8(3) ?
    Ag1 Ag2 S2 4 5_455 122.2(3) ?
    S2 Ag2 S2 1_445 5_455 85.13(2) ?
    S2 Ag2 S2 3_565 5_455 85.13(2) ?
    S2 Ag2 S2 2_655 5_455 179.1(6) ?
    S2 Ag2 S2 4_665 5_455 94.2(4) ?
    S2 Ag2 S2 6_545 5_455 94.2(4) ?
    Ag1 Ag2 Ag2 1_556 4_554 180.000(16) ?
    Ag1 Ag2 Ag2 4 4_554 0.0000(10)
                                 ?
    S2 Ag2 Ag2 1_445 4_554 58.7(3) ?
    S2 Ag2 Ag2 3_565 4_554 58.7(3) ?
    S2 Ag2 Ag2 2_655 4_554 58.7(3) ?
    S2 Ag2 Ag2 4_665 4_554 122.2(3) ?
    S2 Ag2 Ag2 6_545 4_554 122.2(3) ?
    S2 Ag2 Ag2 5_455 4_554 122.2(3) ?
    Ag1 Ag2 Ag2 1_556 4 0.000(4) ?
    Ag1 Ag2 Ag2 4 4 180.000(8) ?
    S2 Ag2 Ag2 1_445 4 121.3(3) ?
    S2 Ag2 Ag2 3_565 4 121.3(3) ?
    S2 Ag2 Ag2 2_655 4 121.3(3) ?
    S2 Ag2 Ag2 4_665 4 57.8(3) ?
    S2 Ag2 Ag2 6_545 4 57.8(3) ?
    S2 Ag2 Ag2 5_455 4 57.8(3) ?
    Ag2 Ag2 Ag2 4_554 4 180.000(5) ?
    Ag1 Ag2 Sm 1_556 5_455 112.1(3) ?
    Ag1 Ag2 Sm 4 5_455 67.9(3) ?
    S2 Ag2 Sm 1_445 5_455 53.47(13) ?
    S2 Ag2 Sm 3_565 5_455 54.05(14) ?
    S2 Ag2 Sm 2_655 5_455 126.6(6) ?
    S2 Ag2 Sm 4_665 5_455 126.61(9) ?
    S2 Ag2 Sm 6_545 5_455 126.04(9) ?
    S2 Ag2 Sm 5_455 5_455 54.29(4) ?
    Ag2 Ag2 Sm 4_554 5_455 67.9(3) ?
    Ag2 Ag2 Sm 4 5_455 112.1(3) ?
    Ag1 Ag2 Sm 1_556 4_665 112.1(3) ?
    Ag1 Ag2 Sm 4 4_665 67.9(3) ?
    S2 Ag2 Sm 1_445 4_665 126.6(6) ?
    S2 Ag2 Sm 3_565 4_665 53.47(13) ?
    S2 Ag2 Sm 2_655 4_665 54.05(14) ?
    S2 Ag2 Sm 4_665 4_665 54.29(4) ?
    S2 Ag2 Sm 6_545 4_665 126.61(9) ?
    S2 Ag2 Sm 5_455 4_665 126.04(9) ?
    Ag2 Ag2 Sm 4_554 4_665 67.9(3) ?
    Ag2 Ag2 Sm 4 4_665 112.1(3) ?
    Sm Ag2 Sm 5_455 4_665 106.7(3) ?
    S1 Ge1 S3 1_554 5_564 113.90(4) ?
    S1 Ge1 S3 1_554 6_554 113.90(4) ?
    S3 Ge1 S3 5_564 6_554 104.71(5) ?
    S1 Ge1 S3 1_554 4_664 113.90(4) ?
    S3 Ge1 S3 5_564 4_664 104.71(5) ?
    S3 Ge1 S3 6_554 4_664 104.71(5) ?
    Ge1 S1 Sm 1_556 6 113.29(4) ?
    Ge1 S1 Sm 1_556 4_665 113.29(4) ?
    Sm S1 Sm 6 4_665 105.40(5) ?
    Ge1 S1 Sm 1_556 5_565 113.29(4) ?
    Sm S1 Sm 6 5_565 105.40(5) ?
    Sm S1 Sm 4_665 5_565 105.40(5) ?
    Ag2 S2 Ag2 1_665 4_664 63.49(3) ?
    Ag1 S2 Sm 4_665 5_565 76.01(6) ?
    Ag2 S2 Sm 1_665 5_565 75.96(5) ?
    Ag2 S2 Sm 4_664 5_565 78.89(7) ?
    Ag1 S2 Sm 4_665 6_655 75.49(6) ?
    Ag2 S2 Sm 1_665 6_655 75.52(5) ?
    Ag2 S2 Sm 4_664 6_655 78.43(7) ?
    Sm S2 Sm 5_565 6_655 149.30(5) ?
    Ag1 S2 Sm 4_665 . 95.3(4) ?
    Ag2 S2 Sm 1_665 . 138.3(3) ?
    Ag2 S2 Sm 4_664 . 74.8(3) ?
    Sm S2 Sm 5_565 . 97.16(4) ?
    Sm S2 Sm 6_655 . 96.56(4) ?
    Ag1 S2 Sm 4_665 1_556 117.4(4) ?
    Ag2 S2 Sm 1_665 1_556 74.4(3) ?
    Ag2 S2 Sm 4_664 1_556 137.8(3) ?
    Sm S2 Sm 5_565 1_556 91.80(4) ?
    Sm S2 Sm 6_655 1_556 91.29(4) ?
    Sm S2 Sm . 1_556 147.33(5) ?
    Ge1 S3 Sm 4_665 2_656 91.34(4) ?
    Ge1 S3 Sm 4_665 1_556 88.62(4) ?
    Sm S3 Sm 2_656 1_556 110.57(5) ?
    Ge1 S3 Sm 4_665 5_565 120.21(6) ?
    Sm S3 Sm 2_656 5_565 142.07(5) ?
    Sm S3 Sm 1_556 5_565 92.04(4) ?
data_gd
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.63 Gd3 Ge S7'
_chemical_formula_sum     'Ag0.63 Gd3 Ge S7'
_chemical_formula_weight     836.18
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.9637(14)
_cell_length_b     9.9637(14)
_cell_length_c     5.7660(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     495.73(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     657
_cell_measurement_theta_min     4.25
_cell_measurement_theta_max     26.19
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.13
_exptl_crystal_size_mid     0.12
_exptl_crystal_size_min     0.10
_exptl_crystal_density_diffrn     5.602
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     731
_exptl_absorpt_coefficient_mu     25.409
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.024
_exptl_absorpt_correction_T_max     0.192
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5095
_diffrn_reflns_av_R_equivalents     0.0439
_diffrn_reflns_av_sigmaI/netI     0.0183
_diffrn_reflns_theta_min     4.25
_diffrn_reflns_theta_max     26.19
_diffrn_reflns_theta_full     26.19
_diffrn_measured_fraction_theta_max     0.981
_diffrn_measured_fraction_theta_full     0.981
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     658
_reflns_number_gt     657
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0129
_refine_ls_R_factor_gt     0.0128
_refine_ls_wR_factor_gt     0.0292
_refine_ls_wR_factor_ref     0.0292
_refine_ls_goodness_of_fit_ref     1.116
_refine_ls_restrained_S_all     1.115
_refine_ls_number_reflns     658
_refine_ls_number_parameters     43
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0143P)²+0.2664P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.580
_refine_diff_density_min     -0.806
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0047(3)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 296 Friedel pairs'
_refine_ls_abs_structure_Flack     0.006(15)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Gd' 'Gd' -0.1653 3.9035
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Gd Gd 0.86849(2) 0.64152(2) 0.24476(11) 0.01184(9) Uani d . 1 . .
    Ag Ag1 0.0000 0.0000 0.085(4) 0.093(5) Uani d SP 0.50(2) . .
    Ag Ag2 0.0000 0.0000 0.9545(16) 0.014(4) Uani d SP 0.12(2) . .
    Ge Ge1 0.3333 0.6667 0.32630(13) 0.00836(18) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9488(3) 0.0104(4) Uani d S 1 . .
    S S2 0.90148(13) 0.73723(14) 0.7161(2) 0.0172(3) Uani d . 1 . .
    S S3 0.58053(14) 0.47996(13) 0.9842(2) 0.0106(2) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Gd S2 6_654 2.7906(12) ?
    Gd S3 3_664 2.8160(12) ?
    Gd S2 5_564 2.8309(12) ?
    Gd S2 . 2.8443(14) ?
    Gd S3 1_554 2.9090(13) ?
    Gd S1 4_664 2.9466(9) ?
    Gd S3 6_654 3.0045(12) ?
    Gd S2 1_554 3.1616(15) ?
    Gd Ag1 1_665 3.263(7) ?
    Gd Ag2 4_664 3.355(4) ?
    Gd Ag2 1_664 3.549(5) ?
    Gd Ag1 4_665 3.693(14) ?
    Ag1 Ag2 1_554 0.75(2) ?
    Ag1 Ag2 4_554 2.13(2) ?
    Ag1 S2 4_664 2.413(8) ?
    Ag1 S2 5_454 2.413(8) ?
    Ag1 S2 6_544 2.413(8) ?
    Ag1 Ag1 4_554 2.8830(6) ?
    Ag1 Ag1 4 2.8830(6) ?
    Ag1 Gd 2_655 3.263(7) ?
    Ag1 Gd 3_565 3.263(7) ?
    Ag1 Gd 1_445 3.263(7) ?
    Ag1 Gd 5_454 3.693(14) ?
    Ag1 Gd 6_544 3.693(14) ?
    Ag2 Ag1 1_556 0.75(2) ?
    Ag2 Ag1 4 2.13(2) ?
    Ag2 S2 1_445 2.672(5) ?
    Ag2 S2 2_655 2.672(5) ?
    Ag2 S2 3_565 2.672(5) ?
    Ag2 S2 4_665 2.743(5) ?
    Ag2 S2 6_545 2.743(5) ?
    Ag2 S2 5_455 2.743(5) ?
    Ag2 Ag2 4_554 2.8830(6) ?
    Ag2 Ag2 4 2.8830(6) ?
    Ag2 Gd 5_455 3.355(3) ?
    Ag2 Gd 6_545 3.355(3) ?
    Ge1 S1 1_554 2.1765(19) ?
    Ge1 S3 5_564 2.2256(13) ?
    Ge1 S3 6_554 2.2256(13) ?
    Ge1 S3 4_664 2.2256(12) ?
    S1 Ge1 1_556 2.1765(19) ?
    S1 Gd 6 2.9466(9) ?
    S1 Gd 4_665 2.9466(9) ?
    S1 Gd 5_565 2.9466(9) ?
    S2 Ag1 4_665 2.413(8) ?
    S2 Ag2 1_665 2.672(5) ?
    S2 Ag2 4_664 2.743(5) ?
    S2 Gd 5_565 2.7906(11) ?
    S2 Gd 6_655 2.8309(12) ?
    S2 Gd 1_556 3.1616(15) ?
    S3 Ge1 4_665 2.2256(12) ?
    S3 Gd 2_656 2.8160(12) ?
    S3 Gd 1_556 2.9090(13) ?
    S3 Gd 5_565 3.0045(12) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Gd S3 6_654 3_664 102.59(4) ?
    S2 Gd S2 6_654 5_564 89.80(5) ?
    S3 Gd S2 3_664 5_564 140.84(4) ?
    S2 Gd S2 6_654 . 81.61(4) ?
    S3 Gd S2 3_664 . 137.18(4) ?
    S2 Gd S2 5_564 . 80.91(3) ?
    S2 Gd S3 6_654 1_554 140.77(4) ?
    S3 Gd S3 3_664 1_554 75.80(5) ?
    S2 Gd S3 5_564 1_554 71.53(3) ?
    S2 Gd S3 . 1_554 126.56(3) ?
    S2 Gd S1 6_654 4_664 147.63(3) ?
    S3 Gd S1 3_664 4_664 71.34(4) ?
    S2 Gd S1 5_564 4_664 115.33(3) ?
    S2 Gd S1 . 4_664 82.65(4) ?
    S3 Gd S1 1_554 4_664 70.08(4) ?
    S2 Gd S3 6_654 6_654 69.67(3) ?
    S3 Gd S3 3_664 6_654 71.86(2) ?
    S2 Gd S3 5_564 6_654 146.14(4) ?
    S2 Gd S3 . 6_654 69.95(3) ?
    S3 Gd S3 1_554 6_654 140.47(3) ?
    S1 Gd S3 4_664 6_654 78.40(3) ?
    S2 Gd S2 6_654 1_554 76.15(3) ?
    S3 Gd S2 3_664 1_554 71.75(3) ?
    S2 Gd S2 5_564 1_554 75.61(3) ?
    S2 Gd S2 . 1_554 147.45(5) ?
    S3 Gd S2 1_554 1_554 66.04(3) ?
    S1 Gd S2 4_664 1_554 127.82(4) ?
    S3 Gd S2 6_654 1_554 121.97(3) ?
    S2 Gd Ag1 6_654 1_665 46.17(9) ?
    S3 Gd Ag1 3_664 1_665 124.6(4) ?
    S2 Gd Ag1 5_564 1_665 45.98(9) ?
    S2 Gd Ag1 . 1_665 89.3(4) ?
    S3 Gd Ag1 1_554 1_665 101.8(3) ?
    S1 Gd Ag1 4_664 1_665 160.90(19) ?
    S3 Gd Ag1 6_654 1_665 115.01(18) ?
    S2 Gd Ag1 1_554 1_665 58.2(4) ?
    S2 Gd Ag2 6_654 4_664 50.52(6) ?
    S3 Gd Ag2 3_664 4_664 152.98(8) ?
    S2 Gd Ag2 5_564 4_664 50.30(6) ?
    S2 Gd Ag2 . 4_664 51.72(15) ?
    S3 Gd Ag2 1_554 4_664 121.83(7) ?
    S1 Gd Ag2 4_664 4_664 131.70(15) ?
    S3 Gd Ag2 6_654 4_664 96.85(9) ?
    S2 Gd Ag2 1_554 4_664 95.74(15) ?
    Ag1 Gd Ag2 1_665 4_664 37.5(3) ?
    S2 Gd Ag2 6_654 1_664 49.52(5) ?
    S3 Gd Ag2 3_664 1_664 114.12(13) ?
    S2 Gd Ag2 5_564 1_664 49.37(5) ?
    S2 Gd Ag2 . 1_664 100.99(14) ?
    S3 Gd Ag2 1_554 1_664 94.53(9) ?
    S1 Gd Ag2 4_664 1_664 162.42(3) ?
    S3 Gd Ag2 6_654 1_664 119.08(5) ?
    S2 Gd Ag2 1_554 1_664 46.48(14) ?
    Ag1 Gd Ag2 1_665 1_664 11.7(3) ?
    Ag2 Gd Ag2 4_664 1_664 49.26(2) ?
    S2 Gd Ag1 6_654 4_665 55.56(18) ?
    S3 Gd Ag1 3_664 4_665 156.62(6) ?
    S2 Gd Ag1 5_564 4_665 55.37(18) ?
    S2 Gd Ag1 . 4_665 40.8(3) ?
    S3 Gd Ag1 1_554 4_665 125.75(11) ?
    S1 Gd Ag1 4_664 4_665 121.5(3) ?
    S3 Gd Ag1 6_654 4_665 90.9(2) ?
    S2 Gd Ag1 1_554 4_665 106.7(3) ?
    Ag1 Gd Ag1 1_665 4_665 48.49(10) ?
    Ag2 Gd Ag1 4_664 4_665 10.9(2) ?
    Ag2 Gd Ag1 1_664 4_665 60.2(3) ?
    Ag2 Ag1 Ag2 1_554 4_554 180.0000(10)
                                       ?
    Ag2 Ag1 S2 1_554 4_664 108.3(6) ?
    Ag2 Ag1 S2 4_554 4_664 71.7(6) ?
    Ag2 Ag1 S2 1_554 5_454 108.3(6) ?
    Ag2 Ag1 S2 4_554 5_454 71.7(6) ?
    S2 Ag1 S2 4_664 5_454 110.6(6) ?
    Ag2 Ag1 S2 1_554 6_544 108.3(6) ?
    Ag2 Ag1 S2 4_554 6_544 71.7(6) ?
    S2 Ag1 S2 4_664 6_544 110.6(6) ?
    S2 Ag1 S2 5_454 6_544 110.6(6) ?
    Ag2 Ag1 Ag1 1_554 4_554 0.0000(10)
                                     ?
    Ag2 Ag1 Ag1 4_554 4_554 180.0000(10)
                                       ?
    S2 Ag1 Ag1 4_664 4_554 108.3(6) ?
    S2 Ag1 Ag1 5_454 4_554 108.3(6) ?
    S2 Ag1 Ag1 6_544 4_554 108.3(6) ?
    Ag2 Ag1 Ag1 1_554 4 180.000(2) ?
    Ag2 Ag1 Ag1 4_554 4 0.0000(10)
                                 ?
    S2 Ag1 Ag1 4_664 4 71.7(6) ?
    S2 Ag1 Ag1 5_454 4 71.7(6) ?
    S2 Ag1 Ag1 6_544 4 71.7(6) ?
    Ag1 Ag1 Ag1 4_554 4 180.000(2) ?
    Ag2 Ag1 Gd 1_554 2_655 106.4(4) ?
    Ag2 Ag1 Gd 4_554 2_655 73.6(4) ?
    S2 Ag1 Gd 4_664 2_655 56.55(17) ?
    S2 Ag1 Gd 5_454 2_655 145.3(10) ?
    S2 Ag1 Gd 6_544 2_655 57.53(17) ?
    Ag1 Ag1 Gd 4_554 2_655 106.4(4) ?
    Ag1 Ag1 Gd 4 2_655 73.6(4) ?
    Ag2 Ag1 Gd 1_554 3_565 106.4(4) ?
    Ag2 Ag1 Gd 4_554 3_565 73.6(4) ?
    S2 Ag1 Gd 4_664 3_565 57.53(17) ?
    S2 Ag1 Gd 5_454 3_565 56.55(17) ?
    S2 Ag1 Gd 6_544 3_565 145.3(10) ?
    Ag1 Ag1 Gd 4_554 3_565 106.4(4) ?
    Ag1 Ag1 Gd 4 3_565 73.6(4) ?
    Gd Ag1 Gd 2_655 3_565 112.3(4) ?
    Ag2 Ag1 Gd 1_554 1_445 106.4(4) ?
    Ag2 Ag1 Gd 4_554 1_445 73.6(4) ?
    S2 Ag1 Gd 4_664 1_445 145.3(10) ?
    S2 Ag1 Gd 5_454 1_445 57.53(17) ?
    S2 Ag1 Gd 6_544 1_445 56.55(17) ?
    Ag1 Ag1 Gd 4_554 1_445 106.4(4) ?
    Ag1 Ag1 Gd 4 1_445 73.6(4) ?
    Gd Ag1 Gd 2_655 1_445 112.3(4) ?
    Gd Ag1 Gd 3_565 1_445 112.3(4) ?
    Ag2 Ag1 Gd 1_554 5_454 57.9(3) ?
    Ag2 Ag1 Gd 4_554 5_454 122.1(3) ?
    S2 Ag1 Gd 4_664 5_454 125.1(3) ?
    S2 Ag1 Gd 5_454 5_454 50.4(2) ?
    S2 Ag1 Gd 6_544 5_454 124.2(3) ?
    Ag1 Ag1 Gd 4_554 5_454 57.9(3) ?
    Ag1 Ag1 Gd 4 5_454 122.1(3) ?
    Gd Ag1 Gd 2_655 5_454 164.3(8) ?
    Gd Ag1 Gd 3_565 5_454 75.14(11) ?
    Gd Ag1 Gd 1_445 5_454 75.14(11) ?
    Ag2 Ag1 Gd 1_554 6_544 57.9(3) ?
    Ag2 Ag1 Gd 4_554 6_544 122.1(3) ?
    S2 Ag1 Gd 4_664 6_544 124.2(3) ?
    S2 Ag1 Gd 5_454 6_544 125.1(3) ?
    S2 Ag1 Gd 6_544 6_544 50.4(2) ?
    Ag1 Ag1 Gd 4_554 6_544 57.9(3) ?
    Ag1 Ag1 Gd 4 6_544 122.1(3) ?
    Gd Ag1 Gd 2_655 6_544 75.14(11) ?
    Gd Ag1 Gd 3_565 6_544 164.3(8) ?
    Gd Ag1 Gd 1_445 6_544 75.14(11) ?
    Gd Ag1 Gd 5_454 6_544 94.4(5) ?
    Ag1 Ag2 Ag1 1_556 4 180.00(3) ?
    Ag1 Ag2 S2 1_556 1_445 120.96(18) ?
    Ag1 Ag2 S2 4 1_445 59.04(17) ?
    Ag1 Ag2 S2 1_556 2_655 120.96(17) ?
    Ag1 Ag2 S2 4 2_655 59.04(17) ?
    S2 Ag2 S2 1_445 2_655 95.9(2) ?
    Ag1 Ag2 S2 1_556 3_565 120.96(18) ?
    Ag1 Ag2 S2 4 3_565 59.04(17) ?
    S2 Ag2 S2 1_445 3_565 95.9(2) ?
    S2 Ag2 S2 2_655 3_565 95.9(2) ?
    Ag1 Ag2 S2 1_556 4_665 56.64(17) ?
    Ag1 Ag2 S2 4 4_665 123.36(17) ?
    S2 Ag2 S2 1_445 4_665 177.6(3) ?
    S2 Ag2 S2 2_655 4_665 85.69(2) ?
    S2 Ag2 S2 3_565 4_665 85.69(2) ?
    Ag1 Ag2 S2 1_556 6_545 56.64(16) ?
    Ag1 Ag2 S2 4 6_545 123.36(17) ?
    S2 Ag2 S2 1_445 6_545 85.69(2) ?
    S2 Ag2 S2 2_655 6_545 85.69(2) ?
    S2 Ag2 S2 3_565 6_545 177.6(3) ?
    S2 Ag2 S2 4_665 6_545 92.7(2) ?
    Ag1 Ag2 S2 1_556 5_455 56.64(16) ?
    Ag1 Ag2 S2 4 5_455 123.36(16) ?
    S2 Ag2 S2 1_445 5_455 85.69(2) ?
    S2 Ag2 S2 2_655 5_455 177.6(3) ?
    S2 Ag2 S2 3_565 5_455 85.69(2) ?
    S2 Ag2 S2 4_665 5_455 92.7(2) ?
    S2 Ag2 S2 6_545 5_455 92.7(2) ?
    Ag1 Ag2 Ag2 1_556 4_554 180.00(2) ?
    Ag1 Ag2 Ag2 4 4_554 0.000(3) ?
    S2 Ag2 Ag2 1_445 4_554 59.04(17) ?
    S2 Ag2 Ag2 2_655 4_554 59.04(17) ?
    S2 Ag2 Ag2 3_565 4_554 59.04(17) ?
    S2 Ag2 Ag2 4_665 4_554 123.36(17) ?
    S2 Ag2 Ag2 6_545 4_554 123.36(17) ?
    S2 Ag2 Ag2 5_455 4_554 123.36(16) ?
    Ag1 Ag2 Ag2 1_556 4 0.000(12) ?
    Ag1 Ag2 Ag2 4 4 180.000(5) ?
    S2 Ag2 Ag2 1_445 4 120.96(18) ?
    S2 Ag2 Ag2 2_655 4 120.96(17) ?
    S2 Ag2 Ag2 3_565 4 120.96(17) ?
    S2 Ag2 Ag2 4_665 4 56.64(17) ?
    S2 Ag2 Ag2 6_545 4 56.64(17) ?
    S2 Ag2 Ag2 5_455 4 56.64(17) ?
    Ag2 Ag2 Ag2 4_554 4 180.000(3) ?
    Ag1 Ag2 Gd 1_556 5_455 111.13(16) ?
    Ag1 Ag2 Gd 4 5_455 68.87(15) ?
    S2 Ag2 Gd 1_445 5_455 53.72(8) ?
    S2 Ag2 Gd 2_655 5_455 127.9(3) ?
    S2 Ag2 Gd 3_565 5_455 54.62(8) ?
    S2 Ag2 Gd 4_665 5_455 126.43(6) ?
    S2 Ag2 Gd 6_545 5_455 125.56(6) ?
    S2 Ag2 Gd 5_455 5_455 54.49(3) ?
    Ag2 Ag2 Gd 4_554 5_455 68.87(15) ?
    Ag2 Ag2 Gd 4 5_455 111.13(15) ?
    Ag1 Ag2 Gd 1_556 6_545 111.13(15) ?
    Ag1 Ag2 Gd 4 6_545 68.87(15) ?
    S2 Ag2 Gd 1_445 6_545 54.62(8) ?
    S2 Ag2 Gd 2_655 6_545 53.72(8) ?
    S2 Ag2 Gd 3_565 6_545 127.9(3) ?
    S2 Ag2 Gd 4_665 6_545 125.56(6) ?
    S2 Ag2 Gd 6_545 6_545 54.49(3) ?
    S2 Ag2 Gd 5_455 6_545 126.43(6) ?
    Ag2 Ag2 Gd 4_554 6_545 68.87(15) ?
    Ag2 Ag2 Gd 4 6_545 111.13(15) ?
    Gd Ag2 Gd 5_455 6_545 107.77(16) ?
    S1 Ge1 S3 1_554 5_564 114.14(3) ?
    S1 Ge1 S3 1_554 6_554 114.14(3) ?
    S3 Ge1 S3 5_564 6_554 104.42(4) ?
    S1 Ge1 S3 1_554 4_664 114.14(3) ?
    S3 Ge1 S3 5_564 4_664 104.42(4) ?
    S3 Ge1 S3 6_554 4_664 104.42(4) ?
    Ge1 S1 Gd 1_556 6 113.54(3) ?
    Ge1 S1 Gd 1_556 4_665 113.54(3) ?
    Gd S1 Gd 6 4_665 105.12(4) ?
    Ge1 S1 Gd 1_556 5_565 113.54(3) ?
    Gd S1 Gd 6 5_565 105.12(4) ?
    Gd S1 Gd 4_665 5_565 105.12(4) ?
    Ag1 S2 Ag2 4_665 1_665 49.2(5) ?
    Ag2 S2 Ag2 1_665 4_664 64.33(3) ?
    Ag1 S2 Gd 4_665 5_565 77.28(9) ?
    Ag2 S2 Gd 1_665 5_565 75.76(3) ?
    Ag2 S2 Gd 4_664 5_565 79.78(5) ?
    Ag1 S2 Gd 4_665 6_655 76.49(10) ?
    Ag2 S2 Gd 1_665 6_655 75.08(4) ?
    Ag2 S2 Gd 4_664 6_655 79.08(5) ?
    Gd S2 Gd 5_565 6_655 149.27(5) ?
    Ag1 S2 Gd 4_665 . 88.9(6) ?
    Ag2 S2 Gd 1_665 . 138.11(18) ?
    Ag2 S2 Gd 4_664 . 73.78(17) ?
    Gd S2 Gd 5_565 . 98.07(4) ?
    Gd S2 Gd 6_655 . 97.14(4) ?
    Ag1 S2 Gd 4_665 1_556 123.7(6) ?
    Ag2 S2 Gd 1_665 1_556 74.42(18) ?
    Ag2 S2 Gd 4_664 1_556 138.74(17) ?
    Gd S2 Gd 5_565 1_556 91.05(3) ?
    Gd S2 Gd 6_655 1_556 90.31(3) ?
    Gd S2 Gd . 1_556 147.45(5) ?
    Ge1 S3 Gd 4_665 2_656 91.08(4) ?
    Ge1 S3 Gd 4_665 1_556 88.69(4) ?
    Gd S3 Gd 2_656 1_556 109.62(4) ?
    Ge1 S3 Gd 4_665 5_565 119.54(5) ?
    Gd S3 Gd 2_656 5_565 143.30(4) ?
    Gd S3 Gd 1_556 5_565 92.02(3) ?
data_tb
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.59 Ge S7 Tb3'
_chemical_formula_sum     'Ag0.59 Ge S7 Tb3'
_chemical_formula_weight     836.87
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.9003(14)
_cell_length_b     9.9003(14)
_cell_length_c     5.7654(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     489.39(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     597
_cell_measurement_theta_min     4.12
_cell_measurement_theta_max     25.64
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.12
_exptl_crystal_size_mid     0.11
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     5.679
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     733
_exptl_absorpt_coefficient_mu     27.008
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.044
_exptl_absorpt_correction_T_max     0.187
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     4229
_diffrn_reflns_av_R_equivalents     0.0388
_diffrn_reflns_av_sigmaI/netI     0.0192
_diffrn_reflns_theta_min     4.12
_diffrn_reflns_theta_max     25.64
_diffrn_reflns_theta_full     25.64
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     6
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     602
_reflns_number_gt     597
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0170
_refine_ls_R_factor_gt     0.0169
_refine_ls_wR_factor_gt     0.0376
_refine_ls_wR_factor_ref     0.0376
_refine_ls_goodness_of_fit_ref     1.173
_refine_ls_restrained_S_all     1.172
_refine_ls_number_reflns     602
_refine_ls_number_parameters     39
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0175P)²+1.1981P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.842
_refine_diff_density_min     -1.391
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0055(3)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 265 Friedel pairs'
_refine_ls_abs_structure_Flack     0.00(2)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Tb' 'Tb' -0.1723 4.1537
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Tb Tb 0.86677(3) 0.64133(3) 0.25005(13) 0.01415(13) Uani d . 1 . .
    Ag Ag2 0.0000 0.0000 0.0324(9) 0.0939(17) Uani d SP 0.586(6) . .
    Ge Ge1 0.3333 0.6667 0.33058(18) 0.0103(3) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9534(5) 0.0108(6) Uani d S 1 . .
    S S2 0.90025(18) 0.7379(2) 0.7165(3) 0.0192(4) Uani d . 1 . .
    S S3 0.57908(19) 0.47987(18) 0.9894(3) 0.0120(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Tb S2 6_654 2.7693(15) ?
    Tb S3 3_664 2.8051(17) ?
    Tb S2 5_564 2.8147(16) ?
    Tb S2 . 2.818(2) ?
    Tb S3 1_554 2.8937(17) ?
    Tb S1 4_664 2.9251(12) ?
    Tb S3 6_654 2.9996(17) ?
    Tb S2 1_554 3.189(2) ?
    Tb Ag2 1_665 3.353(2) ?
    Tb Ag2 4_665 3.509(3) ?
    Ag2 S2 4_664 2.504(3) ?
    Ag2 S2 5_454 2.504(3) ?
    Ag2 S2 6_544 2.504(3) ?
    Ag2 Ag2 4 2.8827(6) ?
    Ag2 Ag2 4_554 2.8827(6) ?
    Ag2 S2 1_444 2.909(4) ?
    Ag2 S2 3_564 2.909(4) ?
    Ag2 S2 2_654 2.909(4) ?
    Ag2 Tb 2_655 3.353(2) ?
    Ag2 Tb 1_445 3.353(2) ?
    Ag2 Tb 3_565 3.353(2) ?
    Ag2 Tb 5_454 3.509(3) ?
    Ge1 S1 1_554 2.175(3) ?
    Ge1 S3 5_564 2.2256(17) ?
    Ge1 S3 6_554 2.2256(17) ?
    Ge1 S3 4_664 2.2256(17) ?
    S1 Ge1 1_556 2.175(3) ?
    S1 Tb 6 2.9251(12) ?
    S1 Tb 4_665 2.9251(12) ?
    S1 Tb 5_565 2.9251(12) ?
    S2 Ag2 4_665 2.504(3) ?
    S2 Tb 5_565 2.7693(15) ?
    S2 Tb 6_655 2.8147(16) ?
    S2 Ag2 1_666 2.909(4) ?
    S2 Tb 1_556 3.189(2) ?
    S3 Ge1 4_665 2.2256(17) ?
    S3 Tb 2_656 2.8051(17) ?
    S3 Tb 1_556 2.8937(17) ?
    S3 Tb 5_565 2.9996(17) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Tb S3 6_654 3_664 101.56(5) ?
    S2 Tb S2 6_654 5_564 89.41(7) ?
    S3 Tb S2 3_664 5_564 140.59(6) ?
    S2 Tb S2 6_654 . 82.06(5) ?
    S3 Tb S2 3_664 . 137.38(5) ?
    S2 Tb S2 5_564 . 81.26(5) ?
    S2 Tb S3 6_654 1_554 140.15(6) ?
    S3 Tb S3 3_664 1_554 76.11(7) ?
    S2 Tb S3 5_564 1_554 71.65(4) ?
    S2 Tb S3 . 1_554 126.83(5) ?
    S2 Tb S1 6_654 4_664 147.60(5) ?
    S3 Tb S1 3_664 4_664 71.70(5) ?
    S2 Tb S1 5_564 4_664 116.29(4) ?
    S2 Tb S1 . 4_664 82.81(6) ?
    S3 Tb S1 1_554 4_664 70.47(5) ?
    S2 Tb S3 6_654 6_654 70.02(5) ?
    S3 Tb S3 3_664 6_654 71.56(3) ?
    S2 Tb S3 5_564 6_654 146.36(5) ?
    S2 Tb S3 . 6_654 70.04(5) ?
    S3 Tb S3 1_554 6_654 140.33(4) ?
    S1 Tb S3 4_664 6_654 77.92(4) ?
    S2 Tb S2 6_654 1_554 75.63(5) ?
    S3 Tb S2 3_664 1_554 71.44(5) ?
    S2 Tb S2 5_564 1_554 75.03(5) ?
    S2 Tb S2 . 1_554 147.33(6) ?
    S3 Tb S2 1_554 1_554 65.84(5) ?
    S1 Tb S2 4_664 1_554 127.87(6) ?
    S3 Tb S2 6_654 1_554 122.00(4) ?
    S2 Tb Ag2 6_654 1_665 47.11(4) ?
    S3 Tb Ag2 3_664 1_665 119.12(9) ?
    S2 Tb Ag2 5_564 1_665 46.92(4) ?
    S2 Tb Ag2 . 1_665 94.62(9) ?
    S3 Tb Ag2 1_554 1_665 98.51(7) ?
    S1 Tb Ag2 4_664 1_665 163.109(17) ?
    S3 Tb Ag2 6_654 1_665 116.99(4) ?
    S2 Tb Ag2 1_554 1_665 52.73(9) ?
    S2 Tb Ag2 6_654 4_665 53.64(5) ?
    S3 Tb Ag2 3_664 4_665 154.83(4) ?
    S2 Tb Ag2 5_564 4_665 53.40(5) ?
    S2 Tb Ag2 . 4_665 45.01(8) ?
    S3 Tb Ag2 1_554 4_665 124.61(4) ?
    S1 Tb Ag2 4_664 4_665 125.80(9) ?
    S3 Tb Ag2 6_654 4_665 93.19(6) ?
    S2 Tb Ag2 1_554 4_665 102.34(9) ?
    Ag2 Tb Ag2 1_665 4_665 49.618(13) ?
    S2 Ag2 S2 4_664 5_454 103.32(14) ?
    S2 Ag2 S2 4_664 6_544 103.32(14) ?
    S2 Ag2 S2 5_454 6_544 103.32(14) ?
    S2 Ag2 Ag2 4_664 4 64.91(12) ?
    S2 Ag2 Ag2 5_454 4 64.91(12) ?
    S2 Ag2 Ag2 6_544 4 64.91(12) ?
    S2 Ag2 Ag2 4_664 4_554 115.09(12) ?
    S2 Ag2 Ag2 5_454 4_554 115.09(12) ?
    S2 Ag2 Ag2 6_544 4_554 115.09(12) ?
    Ag2 Ag2 Ag2 4 4_554 180.0 ?
    S2 Ag2 S2 4_664 1_444 166.3(2) ?
    S2 Ag2 S2 5_454 1_444 84.97(4) ?
    S2 Ag2 S2 6_544 1_444 84.97(4) ?
    Ag2 Ag2 S2 4 1_444 128.76(9) ?
    Ag2 Ag2 S2 4_554 1_444 51.24(9) ?
    S2 Ag2 S2 4_664 3_564 84.97(4) ?
    S2 Ag2 S2 5_454 3_564 84.97(4) ?
    S2 Ag2 S2 6_544 3_564 166.3(2) ?
    Ag2 Ag2 S2 4 3_564 128.76(9) ?
    Ag2 Ag2 S2 4_554 3_564 51.24(9) ?
    S2 Ag2 S2 1_444 3_564 84.96(13) ?
    S2 Ag2 S2 4_664 2_654 84.97(4) ?
    S2 Ag2 S2 5_454 2_654 166.3(2) ?
    S2 Ag2 S2 6_544 2_654 84.97(4) ?
    Ag2 Ag2 S2 4 2_654 128.76(9) ?
    Ag2 Ag2 S2 4_554 2_654 51.24(9) ?
    S2 Ag2 S2 1_444 2_654 84.96(13) ?
    S2 Ag2 S2 3_564 2_654 84.96(13) ?
    S2 Ag2 Tb 4_664 2_655 54.11(5) ?
    S2 Ag2 Tb 5_454 2_655 132.9(2) ?
    S2 Ag2 Tb 6_544 2_655 55.18(6) ?
    Ag2 Ag2 Tb 4 2_655 68.02(8) ?
    Ag2 Ag2 Tb 4_554 2_655 111.98(8) ?
    S2 Ag2 Tb 1_444 2_655 127.04(5) ?
    S2 Ag2 Tb 3_564 2_655 126.11(5) ?
    S2 Ag2 Tb 2_654 2_655 60.74(4) ?
    S2 Ag2 Tb 4_664 1_445 132.9(2) ?
    S2 Ag2 Tb 5_454 1_445 55.18(6) ?
    S2 Ag2 Tb 6_544 1_445 54.11(5) ?
    Ag2 Ag2 Tb 4 1_445 68.02(8) ?
    Ag2 Ag2 Tb 4_554 1_445 111.98(8) ?
    S2 Ag2 Tb 1_444 1_445 60.74(4) ?
    S2 Ag2 Tb 3_564 1_445 127.04(5) ?
    S2 Ag2 Tb 2_654 1_445 126.11(5) ?
    Tb Ag2 Tb 2_655 1_445 106.85(9) ?
    S2 Ag2 Tb 4_664 3_565 55.18(6) ?
    S2 Ag2 Tb 5_454 3_565 54.11(5) ?
    S2 Ag2 Tb 6_544 3_565 132.9(2) ?
    Ag2 Ag2 Tb 4 3_565 68.02(8) ?
    Ag2 Ag2 Tb 4_554 3_565 111.98(8) ?
    S2 Ag2 Tb 1_444 3_565 126.11(5) ?
    S2 Ag2 Tb 3_564 3_565 60.74(4) ?
    S2 Ag2 Tb 2_654 3_565 127.04(5) ?
    Tb Ag2 Tb 2_655 3_565 106.85(9) ?
    Tb Ag2 Tb 1_445 3_565 106.85(9) ?
    S2 Ag2 Tb 4_664 5_454 127.23(4) ?
    S2 Ag2 Tb 5_454 5_454 52.73(6) ?
    S2 Ag2 Tb 6_544 5_454 126.20(4) ?
    Ag2 Ag2 Tb 4 5_454 117.63(8) ?
    Ag2 Ag2 Tb 4_554 5_454 62.37(8) ?
    S2 Ag2 Tb 1_444 5_454 50.06(5) ?
    S2 Ag2 Tb 3_564 5_454 50.98(5) ?
    S2 Ag2 Tb 2_654 5_454 113.61(16) ?
    Tb Ag2 Tb 2_655 5_454 174.35(16) ?
    Tb Ag2 Tb 1_445 5_454 76.283(11) ?
    Tb Ag2 Tb 3_565 5_454 76.283(11) ?
    S1 Ge1 S3 1_554 5_564 114.29(5) ?
    S1 Ge1 S3 1_554 6_554 114.29(5) ?
    S3 Ge1 S3 5_564 6_554 104.25(6) ?
    S1 Ge1 S3 1_554 4_664 114.29(5) ?
    S3 Ge1 S3 5_564 4_664 104.25(6) ?
    S3 Ge1 S3 6_554 4_664 104.25(6) ?
    Ge1 S1 Tb 1_556 6 113.62(5) ?
    Ge1 S1 Tb 1_556 4_665 113.62(5) ?
    Tb S1 Tb 6 4_665 105.02(6) ?
    Ge1 S1 Tb 1_556 5_565 113.62(5) ?
    Tb S1 Tb 6 5_565 105.02(6) ?
    Tb S1 Tb 4_665 5_565 105.02(6) ?
    Ag2 S2 Tb 4_665 5_565 78.77(5) ?
    Ag2 S2 Tb 4_665 6_655 77.91(5) ?
    Tb S2 Tb 5_565 6_655 149.29(7) ?
    Ag2 S2 Tb 4_665 . 82.27(12) ?
    Tb S2 Tb 5_565 . 98.72(6) ?
    Tb S2 Tb 6_655 . 97.65(5) ?
    Ag2 S2 Ag2 4_665 1_666 63.85(5) ?
    Tb S2 Ag2 5_565 1_666 76.30(4) ?
    Tb S2 Ag2 6_655 1_666 75.61(4) ?
    Tb S2 Ag2 . 1_666 146.11(10) ?
    Ag2 S2 Tb 4_665 1_556 130.37(13) ?
    Tb S2 Tb 5_565 1_556 90.44(5) ?
    Tb S2 Tb 6_655 1_556 89.63(5) ?
    Tb S2 Tb . 1_556 147.33(6) ?
    Ag2 S2 Tb 1_666 1_556 66.53(9) ?
    Ge1 S3 Tb 4_665 2_656 90.96(5) ?
    Ge1 S3 Tb 4_665 1_556 88.68(5) ?
    Tb S3 Tb 2_656 1_556 109.07(6) ?
    Ge1 S3 Tb 4_665 5_565 119.16(7) ?
    Tb S3 Tb 2_656 5_565 144.01(6) ?
    Tb S3 Tb 1_556 5_565 91.99(5) ?
data_dy
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.51 Dy3 Ge S7'
_chemical_formula_sum     'Ag0.51 Dy3 Ge S7'
_chemical_formula_weight     840.06
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.8003(14)
_cell_length_b     9.8003(14)
_cell_length_c     5.7879(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     481.43(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     644
_cell_measurement_theta_min     4.26
_cell_measurement_theta_max     26.35
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.12
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.09
_exptl_crystal_density_diffrn     5.795
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     732
_exptl_absorpt_coefficient_mu     28.563
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.035
_exptl_absorpt_correction_T_max     0.244
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5667
_diffrn_reflns_av_R_equivalents     0.0456
_diffrn_reflns_av_sigmaI/netI     0.0200
_diffrn_reflns_theta_min     4.26
_diffrn_reflns_theta_max     26.35
_diffrn_reflns_theta_full     26.35
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.986
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     10
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     655
_reflns_number_gt     644
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0162
_refine_ls_R_factor_gt     0.0153
_refine_ls_wR_factor_gt     0.0313
_refine_ls_wR_factor_ref     0.0316
_refine_ls_goodness_of_fit_ref     1.123
_refine_ls_restrained_S_all     1.122
_refine_ls_number_reflns     655
_refine_ls_number_parameters     39
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0114P)²+0.9002P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.994
_refine_diff_density_min     -1.029
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0034(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 293 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.005(19)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Dy' 'Dy' -0.1892 4.4098
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Dy Dy 0.86393(3) 0.64111(3) 0.24397(11) 0.01554(10) Uani d . 1 . .
    Ag Ag2 0.0000 0.0000 0.0017(9) 0.0735(13) Uani d SP 0.517(5) . .
    Ge Ge1 0.3333 0.6667 0.32315(16) 0.0100(2) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9457(4) 0.0110(5) Uani d S 1 . .
    S S2 0.89852(18) 0.7401(2) 0.7034(2) 0.0197(4) Uani d . 1 . .
    S S3 0.57703(18) 0.47943(18) 0.9824(2) 0.0123(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Dy S2 6_654 2.7330(15) ?
    Dy S2 5_564 2.7879(15) ?
    Dy S2 . 2.7922(16) ?
    Dy S3 3_664 2.7946(16) ?
    Dy S3 1_554 2.8727(16) ?
    Dy S1 4_664 2.8926(11) ?
    Dy S3 6_654 2.9970(16) ?
    Dy S2 1_554 3.2430(17) ?
    Dy Ag2 1_665 3.380(2) ?
    Dy Ag2 4_665 3.418(2) ?
    Ag2 S2 4_664 2.511(3) ?
    Ag2 S2 5_454 2.511(3) ?
    Ag2 S2 6_544 2.511(3) ?
    Ag2 S2 1_444 2.816(4) ?
    Ag2 S2 3_564 2.816(4) ?
    Ag2 S2 2_654 2.816(4) ?
    Ag2 Ag2 4_554 2.8939(6) ?
    Ag2 Ag2 4 2.8939(6) ?
    Ag2 Dy 2_655 3.380(2) ?
    Ag2 Dy 1_445 3.380(2) ?
    Ag2 Dy 3_565 3.380(2) ?
    Ag2 Dy 5_454 3.418(2) ?
    Ge1 S1 1_554 2.185(2) ?
    Ge1 S3 5_564 2.2202(16) ?
    Ge1 S3 6_554 2.2202(16) ?
    Ge1 S3 4_664 2.2202(16) ?
    S1 Ge1 1_556 2.185(2) ?
    S1 Dy 6 2.8926(11) ?
    S1 Dy 4_665 2.8926(11) ?
    S1 Dy 5_565 2.8926(11) ?
    S2 Ag2 4_665 2.511(3) ?
    S2 Dy 5_565 2.7330(15) ?
    S2 Dy 6_655 2.7879(15) ?
    S2 Ag2 1_666 2.816(4) ?
    S2 Dy 1_556 3.2430(17) ?
    S3 Ge1 4_665 2.2202(16) ?
    S3 Dy 2_656 2.7946(16) ?
    S3 Dy 1_556 2.8727(16) ?
    S3 Dy 5_565 2.9970(16) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Dy S2 6_654 5_564 88.48(7) ?
    S2 Dy S2 6_654 . 82.68(5) ?
    S2 Dy S2 5_564 . 81.70(4) ?
    S2 Dy S3 6_654 3_664 100.10(5) ?
    S2 Dy S3 5_564 3_664 140.01(5) ?
    S2 Dy S3 . 3_664 137.91(5) ?
    S2 Dy S3 6_654 1_554 138.99(5) ?
    S2 Dy S3 5_564 1_554 72.14(4) ?
    S2 Dy S3 . 1_554 127.50(4) ?
    S3 Dy S3 3_664 1_554 76.22(6) ?
    S2 Dy S1 6_654 4_664 147.56(4) ?
    S2 Dy S1 5_564 4_664 117.99(4) ?
    S2 Dy S1 . 4_664 83.09(6) ?
    S3 Dy S1 3_664 4_664 72.32(4) ?
    S3 Dy S1 1_554 4_664 71.21(4) ?
    S2 Dy S3 6_654 6_654 70.61(5) ?
    S2 Dy S3 5_564 6_654 146.52(5) ?
    S2 Dy S3 . 6_654 70.21(4) ?
    S3 Dy S3 3_664 6_654 71.32(3) ?
    S3 Dy S3 1_554 6_654 140.07(4) ?
    S1 Dy S3 4_664 6_654 77.17(3) ?
    S2 Dy S2 6_654 1_554 74.74(4) ?
    S2 Dy S2 5_564 1_554 74.05(4) ?
    S2 Dy S2 . 1_554 146.99(6) ?
    S3 Dy S2 3_664 1_554 70.87(4) ?
    S3 Dy S2 1_554 1_554 65.40(4) ?
    S1 Dy S2 4_664 1_554 128.07(5) ?
    S3 Dy S2 6_654 1_554 122.04(4) ?
    S2 Dy Ag2 6_654 1_665 47.06(4) ?
    S2 Dy Ag2 5_564 1_665 46.85(4) ?
    S2 Dy Ag2 . 1_665 96.74(9) ?
    S3 Dy Ag2 3_664 1_665 115.94(9) ?
    S3 Dy Ag2 1_554 1_665 97.09(6) ?
    S1 Dy Ag2 4_664 1_665 164.310(10) ?
    S3 Dy Ag2 6_654 1_665 117.64(4) ?
    S2 Dy Ag2 1_554 1_665 50.26(9) ?
    S2 Dy Ag2 6_654 4_665 53.07(5) ?
    S2 Dy Ag2 5_564 4_665 52.78(5) ?
    S2 Dy Ag2 . 4_665 46.36(9) ?
    S3 Dy Ag2 3_664 4_665 153.01(5) ?
    S3 Dy Ag2 1_554 4_665 124.63(4) ?
    S1 Dy Ag2 4_664 4_665 127.61(9) ?
    S3 Dy Ag2 6_654 4_665 93.94(6) ?
    S2 Dy Ag2 1_554 4_665 100.65(9) ?
    Ag2 Dy Ag2 1_665 4_665 50.384(12) ?
    S2 Ag2 S2 4_664 5_454 100.14(14) ?
    S2 Ag2 S2 4_664 6_544 100.14(14) ?
    S2 Ag2 S2 5_454 6_544 100.14(14) ?
    S2 Ag2 S2 4_664 1_444 169.9(2) ?
    S2 Ag2 S2 5_454 1_444 86.29(4) ?
    S2 Ag2 S2 6_544 1_444 86.29(4) ?
    S2 Ag2 S2 4_664 3_564 86.29(4) ?
    S2 Ag2 S2 5_454 3_564 86.29(4) ?
    S2 Ag2 S2 6_544 3_564 169.9(2) ?
    S2 Ag2 S2 1_444 3_564 86.32(13) ?
    S2 Ag2 S2 4_664 2_654 86.29(4) ?
    S2 Ag2 S2 5_454 2_654 169.9(2) ?
    S2 Ag2 S2 6_544 2_654 86.29(4) ?
    S2 Ag2 S2 1_444 2_654 86.32(13) ?
    S2 Ag2 S2 3_564 2_654 86.32(13) ?
    S2 Ag2 Ag2 4_664 4_554 117.69(11) ?
    S2 Ag2 Ag2 5_454 4_554 117.69(11) ?
    S2 Ag2 Ag2 6_544 4_554 117.69(11) ?
    S2 Ag2 Ag2 1_444 4_554 52.17(9) ?
    S2 Ag2 Ag2 3_564 4_554 52.17(9) ?
    S2 Ag2 Ag2 2_654 4_554 52.17(9) ?
    S2 Ag2 Ag2 4_664 4 62.31(11) ?
    S2 Ag2 Ag2 5_454 4 62.31(11) ?
    S2 Ag2 Ag2 6_544 4 62.31(11) ?
    S2 Ag2 Ag2 1_444 4 127.83(9) ?
    S2 Ag2 Ag2 3_564 4 127.83(9) ?
    S2 Ag2 Ag2 2_654 4 127.83(9) ?
    Ag2 Ag2 Ag2 4_554 4 180.0 ?
    S2 Ag2 Dy 4_664 2_655 52.81(6) ?
    S2 Ag2 Dy 5_454 2_655 127.80(19) ?
    S2 Ag2 Dy 6_544 2_655 54.08(6) ?
    S2 Ag2 Dy 1_444 2_655 128.44(5) ?
    S2 Ag2 Dy 3_564 2_655 127.28(5) ?
    S2 Ag2 Dy 2_654 2_655 62.34(4) ?
    Ag2 Ag2 Dy 4_554 2_655 114.51(8) ?
    Ag2 Ag2 Dy 4 2_655 65.49(8) ?
    S2 Ag2 Dy 4_664 1_445 127.80(19) ?
    S2 Ag2 Dy 5_454 1_445 54.08(6) ?
    S2 Ag2 Dy 6_544 1_445 52.81(6) ?
    S2 Ag2 Dy 1_444 1_445 62.34(4) ?
    S2 Ag2 Dy 3_564 1_445 128.44(5) ?
    S2 Ag2 Dy 2_654 1_445 127.28(5) ?
    Ag2 Ag2 Dy 4_554 1_445 114.51(8) ?
    Ag2 Ag2 Dy 4 1_445 65.49(8) ?
    Dy Ag2 Dy 2_655 1_445 104.00(10) ?
    S2 Ag2 Dy 4_664 3_565 54.08(6) ?
    S2 Ag2 Dy 5_454 3_565 52.81(6) ?
    S2 Ag2 Dy 6_544 3_565 127.80(19) ?
    S2 Ag2 Dy 1_444 3_565 127.28(5) ?
    S2 Ag2 Dy 3_564 3_565 62.34(4) ?
    S2 Ag2 Dy 2_654 3_565 128.44(5) ?
    Ag2 Ag2 Dy 4_554 3_565 114.51(8) ?
    Ag2 Ag2 Dy 4 3_565 65.49(8) ?
    Dy Ag2 Dy 2_655 3_565 104.00(10) ?
    Dy Ag2 Dy 1_445 3_565 104.00(10) ?
    S2 Ag2 Dy 4_664 5_454 127.59(3) ?
    S2 Ag2 Dy 5_454 5_454 53.57(4) ?
    S2 Ag2 Dy 6_544 5_454 126.32(3) ?
    S2 Ag2 Dy 1_444 5_454 50.89(6) ?
    S2 Ag2 Dy 3_564 5_454 52.04(6) ?
    S2 Ag2 Dy 2_654 5_454 116.29(17) ?
    Ag2 Ag2 Dy 4_554 5_454 64.12(8) ?
    Ag2 Ag2 Dy 4 5_454 115.88(8) ?
    Dy Ag2 Dy 2_655 5_454 178.63(17) ?
    Dy Ag2 Dy 1_445 5_454 76.803(7) ?
    Dy Ag2 Dy 3_565 5_454 76.803(7) ?
    S1 Ge1 S3 1_554 5_564 114.54(4) ?
    S1 Ge1 S3 1_554 6_554 114.54(4) ?
    S3 Ge1 S3 5_564 6_554 103.96(5) ?
    S1 Ge1 S3 1_554 4_664 114.54(4) ?
    S3 Ge1 S3 5_564 4_664 103.96(5) ?
    S3 Ge1 S3 6_554 4_664 103.96(5) ?
    Ge1 S1 Dy 1_556 6 113.80(4) ?
    Ge1 S1 Dy 1_556 4_665 113.80(4) ?
    Dy S1 Dy 6 4_665 104.82(5) ?
    Ge1 S1 Dy 1_556 5_565 113.80(4) ?
    Dy S1 Dy 6 5_565 104.82(5) ?
    Dy S1 Dy 4_665 5_565 104.82(5) ?
    Ag2 S2 Dy 4_665 5_565 80.13(5) ?
    Ag2 S2 Dy 4_665 6_655 79.07(5) ?
    Dy S2 Dy 5_565 6_655 149.54(7) ?
    Ag2 S2 Dy 4_665 . 80.07(11) ?
    Dy S2 Dy 5_565 . 99.69(5) ?
    Dy S2 Dy 6_655 . 98.37(5) ?
    Ag2 S2 Ag2 4_665 1_666 65.52(5) ?
    Dy S2 Ag2 5_565 1_666 76.04(4) ?
    Dy S2 Ag2 6_655 1_666 75.18(4) ?
    Dy S2 Ag2 . 1_666 145.58(10) ?
    Ag2 S2 Dy 4_665 1_556 132.91(12) ?
    Dy S2 Dy 5_565 1_556 89.51(4) ?
    Dy S2 Dy 6_655 1_556 88.56(4) ?
    Dy S2 Dy . 1_556 146.99(6) ?
    Ag2 S2 Dy 1_666 1_556 67.39(9) ?
    Ge1 S3 Dy 4_665 2_656 90.91(5) ?
    Ge1 S3 Dy 4_665 1_556 88.90(5) ?
    Dy S3 Dy 2_656 1_556 107.96(5) ?
    Ge1 S3 Dy 4_665 5_565 118.61(6) ?
    Dy S3 Dy 2_656 5_565 145.01(6) ?
    Dy S3 Dy 1_556 5_565 91.99(4) ?
data_ho
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.50 Ge Ho3 S7'
_chemical_formula_sum     'Ag0.50 Ge Ho3 S7'
_chemical_formula_weight     845.73
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.7401(14)
_cell_length_b     9.7401(14)
_cell_length_c     5.7994(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     476.48(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     630
_cell_measurement_theta_min     4.26
_cell_measurement_theta_max     26.72
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.09
_exptl_crystal_size_mid     0.07
_exptl_crystal_size_min     0.03
_exptl_crystal_density_diffrn     5.895
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     737
_exptl_absorpt_coefficient_mu     30.215
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.061
_exptl_absorpt_correction_T_max     0.304
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5792
_diffrn_reflns_av_R_equivalents     0.0453
_diffrn_reflns_av_sigmaI/netI     0.0214
_diffrn_reflns_theta_min     4.26
_diffrn_reflns_theta_max     26.72
_diffrn_reflns_theta_full     26.72
_diffrn_measured_fraction_theta_max     0.987
_diffrn_measured_fraction_theta_full     0.987
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     6
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     649
_reflns_number_gt     630
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0180
_refine_ls_R_factor_gt     0.0173
_refine_ls_wR_factor_gt     0.0332
_refine_ls_wR_factor_ref     0.0333
_refine_ls_goodness_of_fit_ref     1.189
_refine_ls_restrained_S_all     1.188
_refine_ls_number_reflns     649
_refine_ls_number_parameters     38
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0040P)²+2.2568P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.785
_refine_diff_density_min     -2.255
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0054(2)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 275 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.04(2)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ho' 'Ho' -0.2175 4.6783
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Ho Ho 0.86127(3) 0.64077(3) 0.24376(13) 0.01686(11) Uani d . 1 . .
    Ag Ag2 0.0000 0.0000 0.9801(12) 0.0699(11) Uani d SP 0.50 . .
    Ge Ge1 0.3333 0.6667 0.32172(19) 0.0101(3) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9456(5) 0.0104(6) Uani d S 1 . .
    S S2 0.8968(2) 0.7410(2) 0.6976(3) 0.0204(5) Uani d . 1 . .
    S S3 0.5748(2) 0.4782(2) 0.9815(3) 0.0130(4) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Ho S2 6_654 2.7141(17) ?
    Ho S2 . 2.768(2) ?
    Ho S2 5_564 2.7731(17) ?
    Ho S3 3_664 2.7845(19) ?
    Ho S3 1_554 2.8617(19) ?
    Ho S1 4_664 2.8730(14) ?
    Ho S3 6_654 3.0063(18) ?
    Ho Ag2 4_664 3.349(3) ?
    Ho Ag2 1_664 3.417(3) ?
    Ag2 S2 4_665 2.535(4) ?
    Ag2 S2 6_545 2.535(4) ?
    Ag2 S2 5_455 2.535(4) ?
    Ag2 S2 1_445 2.743(5) ?
    Ag2 S2 3_565 2.743(5) ?
    Ag2 S2 2_655 2.743(5) ?
    Ag2 Ag2 4 2.8997(6) ?
    Ag2 Ag2 4_554 2.8997(6) ?
    Ag2 Ho 5_455 3.349(3) ?
    Ag2 Ho 4_665 3.349(3) ?
    Ag2 Ho 6_545 3.349(3) ?
    Ag2 Ho 2_656 3.417(3) ?
    Ge1 S1 1_554 2.181(3) ?
    Ge1 S3 5_564 2.2169(18) ?
    Ge1 S3 6_554 2.2169(18) ?
    Ge1 S3 4_664 2.2169(18) ?
    S1 Ge1 1_556 2.181(3) ?
    S1 Ho 6 2.8730(13) ?
    S1 Ho 4_665 2.8730(13) ?
    S1 Ho 5_565 2.8730(13) ?
    S2 Ag2 4_664 2.535(4) ?
    S2 Ho 5_565 2.7141(17) ?
    S2 Ag2 1_665 2.743(5) ?
    S2 Ho 6_655 2.7731(17) ?
    S3 Ge1 4_665 2.2169(18) ?
    S3 Ho 2_656 2.7845(19) ?
    S3 Ho 1_556 2.8617(19) ?
    S3 Ho 5_565 3.0063(18) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Ho S2 6_654 . 83.19(6) ?
    S2 Ho S2 6_654 5_564 87.93(8) ?
    S2 Ho S2 . 5_564 82.11(5) ?
    S2 Ho S3 6_654 3_664 98.76(6) ?
    S2 Ho S3 . 3_664 138.23(6) ?
    S2 Ho S3 5_564 3_664 139.49(6) ?
    S2 Ho S3 6_654 1_554 138.26(6) ?
    S2 Ho S3 . 1_554 128.02(5) ?
    S2 Ho S3 5_564 1_554 72.58(5) ?
    S3 Ho S3 3_664 1_554 76.30(7) ?
    S2 Ho S1 6_654 4_664 147.28(5) ?
    S2 Ho S1 . 4_664 83.18(7) ?
    S2 Ho S1 5_564 4_664 119.33(4) ?
    S3 Ho S1 3_664 4_664 72.90(5) ?
    S3 Ho S1 1_554 4_664 71.78(6) ?
    S2 Ho S3 6_654 6_654 70.93(5) ?
    S2 Ho S3 . 6_654 70.44(5) ?
    S2 Ho S3 5_564 6_654 146.77(5) ?
    S3 Ho S3 3_664 6_654 70.95(3) ?
    S3 Ho S3 1_554 6_654 139.65(5) ?
    S1 Ho S3 4_664 6_654 76.49(4) ?
    S2 Ho Ag2 6_654 4_664 52.52(7) ?
    S2 Ho Ag2 . 4_664 47.81(12) ?
    S2 Ho Ag2 5_564 4_664 52.20(7) ?
    S3 Ho Ag2 3_664 4_664 151.24(7) ?
    S3 Ho Ag2 1_554 4_664 124.60(6) ?
    S1 Ho Ag2 4_664 4_664 129.30(13) ?
    S3 Ho Ag2 6_654 4_664 94.77(8) ?
    S2 Ho Ag2 6_654 1_664 47.15(5) ?
    S2 Ho Ag2 . 1_664 98.54(12) ?
    S2 Ho Ag2 5_564 1_664 46.94(5) ?
    S3 Ho Ag2 3_664 1_664 113.31(11) ?
    S3 Ho Ag2 1_554 1_664 96.06(8) ?
    S1 Ho Ag2 4_664 1_664 165.13(2) ?
    S3 Ho Ag2 6_654 1_664 118.08(5) ?
    Ag2 Ho Ag2 4_664 1_664 50.735(13) ?
    S2 Ag2 S2 4_665 6_545 97.40(19) ?
    S2 Ag2 S2 4_665 5_455 97.40(19) ?
    S2 Ag2 S2 6_545 5_455 97.40(19) ?
    S2 Ag2 S2 4_665 1_445 173.1(3) ?
    S2 Ag2 S2 6_545 1_445 87.10(4) ?
    S2 Ag2 S2 5_455 1_445 87.10(4) ?
    S2 Ag2 S2 4_665 3_565 87.10(4) ?
    S2 Ag2 S2 6_545 3_565 173.1(3) ?
    S2 Ag2 S2 5_455 3_565 87.10(4) ?
    S2 Ag2 S2 1_445 3_565 87.98(18) ?
    S2 Ag2 S2 4_665 2_655 87.10(4) ?
    S2 Ag2 S2 6_545 2_655 87.10(4) ?
    S2 Ag2 S2 5_455 2_655 173.1(3) ?
    S2 Ag2 S2 1_445 2_655 87.98(18) ?
    S2 Ag2 S2 3_565 2_655 87.98(18) ?
    S2 Ag2 Ag2 4_665 4 60.17(15) ?
    S2 Ag2 Ag2 6_545 4 60.17(15) ?
    S2 Ag2 Ag2 5_455 4 60.17(15) ?
    S2 Ag2 Ag2 1_445 4 126.68(13) ?
    S2 Ag2 Ag2 3_565 4 126.68(13) ?
    S2 Ag2 Ag2 2_655 4 126.68(13) ?
    S2 Ag2 Ag2 4_665 4_554 119.83(15) ?
    S2 Ag2 Ag2 6_545 4_554 119.83(15) ?
    S2 Ag2 Ag2 5_455 4_554 119.83(15) ?
    S2 Ag2 Ag2 1_445 4_554 53.32(13) ?
    S2 Ag2 Ag2 3_565 4_554 53.32(13) ?
    S2 Ag2 Ag2 2_655 4_554 53.32(13) ?
    Ag2 Ag2 Ag2 4 4_554 180.000(3) ?
    S2 Ag2 Ho 4_665 5_455 127.50(4) ?
    S2 Ag2 Ho 6_545 5_455 126.14(4) ?
    S2 Ag2 Ho 5_455 5_455 53.99(5) ?
    S2 Ag2 Ho 1_445 5_455 51.75(7) ?
    S2 Ag2 Ho 3_565 5_455 53.03(7) ?
    S2 Ag2 Ho 2_655 5_455 119.2(2) ?
    Ag2 Ag2 Ho 4 5_455 114.15(12) ?
    Ag2 Ag2 Ho 4_554 5_455 65.85(11) ?
    S2 Ag2 Ho 4_665 4_665 53.99(5) ?
    S2 Ag2 Ho 6_545 4_665 127.50(4) ?
    S2 Ag2 Ho 5_455 4_665 126.14(4) ?
    S2 Ag2 Ho 1_445 4_665 119.2(2) ?
    S2 Ag2 Ho 3_565 4_665 51.75(7) ?
    S2 Ag2 Ho 2_655 4_665 53.03(7) ?
    Ag2 Ag2 Ho 4 4_665 114.15(11) ?
    Ag2 Ag2 Ho 4_554 4_665 65.85(12) ?
    Ho Ag2 Ho 5_455 4_665 104.41(13) ?
    S2 Ag2 Ho 4_665 6_545 126.14(4) ?
    S2 Ag2 Ho 6_545 6_545 53.99(5) ?
    S2 Ag2 Ho 5_455 6_545 127.50(4) ?
    S2 Ag2 Ho 1_445 6_545 53.03(7) ?
    S2 Ag2 Ho 3_565 6_545 119.2(2) ?
    S2 Ag2 Ho 2_655 6_545 51.75(7) ?
    Ag2 Ag2 Ho 4 6_545 114.15(11) ?
    Ag2 Ag2 Ho 4_554 6_545 65.85(12) ?
    Ho Ag2 Ho 5_455 6_545 104.41(13) ?
    Ho Ag2 Ho 4_665 6_545 104.41(13) ?
    S2 Ag2 Ho 4_665 2_656 51.70(7) ?
    S2 Ag2 Ho 6_545 2_656 53.05(8) ?
    S2 Ag2 Ho 5_455 2_656 123.6(3) ?
    S2 Ag2 Ho 1_445 2_656 129.38(5) ?
    S2 Ag2 Ho 3_565 2_656 128.11(5) ?
    S2 Ag2 Ho 2_655 2_656 63.27(5) ?
    Ag2 Ag2 Ho 4 2_656 63.42(11) ?
    Ag2 Ag2 Ho 4_554 2_656 116.58(11) ?
    Ho Ag2 Ho 5_455 2_656 177.6(2) ?
    Ho Ag2 Ho 4_665 2_656 77.003(9) ?
    Ho Ag2 Ho 6_545 2_656 77.003(9) ?
    S1 Ge1 S3 1_554 5_564 114.70(6) ?
    S1 Ge1 S3 1_554 6_554 114.70(6) ?
    S3 Ge1 S3 5_564 6_554 103.77(6) ?
    S1 Ge1 S3 1_554 4_664 114.70(6) ?
    S3 Ge1 S3 5_564 4_664 103.77(6) ?
    S3 Ge1 S3 6_554 4_664 103.77(6) ?
    Ge1 S1 Ho 1_556 6 114.05(6) ?
    Ge1 S1 Ho 1_556 4_665 114.05(6) ?
    Ho S1 Ho 6 4_665 104.53(7) ?
    Ge1 S1 Ho 1_556 5_565 114.05(6) ?
    Ho S1 Ho 6 5_565 104.53(7) ?
    Ho S1 Ho 4_665 5_565 104.53(7) ?
    Ag2 S2 Ho 4_664 5_565 81.16(6) ?
    Ag2 S2 Ag2 4_664 1_665 66.52(5) ?
    Ho S2 Ag2 5_565 1_665 75.73(5) ?
    Ag2 S2 Ho 4_664 . 78.20(15) ?
    Ho S2 Ho 5_565 . 100.43(6) ?
    Ag2 S2 Ho 1_665 . 144.70(14) ?
    Ag2 S2 Ho 4_664 6_655 80.01(6) ?
    Ho S2 Ho 5_565 6_655 149.46(8) ?
    Ag2 S2 Ho 1_665 6_655 74.78(5) ?
    Ho S2 Ho . 6_655 98.98(6) ?
    Ge1 S3 Ho 4_665 2_656 90.96(6) ?
    Ge1 S3 Ho 4_665 1_556 88.96(6) ?
    Ho S3 Ho 2_656 1_556 107.19(7) ?
    Ge1 S3 Ho 4_665 5_565 118.19(8) ?
    Ho S3 Ho 2_656 5_565 145.83(7) ?
    Ho S3 Ho 1_556 5_565 91.74(5) ?
data_er
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.50 Er3 Ge S7'
_chemical_formula_sum     'Ag0.50 Er3 Ge S7'
_chemical_formula_weight     852.72
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.6921(14)
_cell_length_b     9.6921(14)
_cell_length_c     5.8308(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     474.35(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     628
_cell_measurement_theta_min     4.21
_cell_measurement_theta_max     26.37
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.13
_exptl_crystal_size_mid     0.10
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     5.970
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     743
_exptl_absorpt_coefficient_mu     31.869
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.038
_exptl_absorpt_correction_T_max     0.131
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     4994
_diffrn_reflns_av_R_equivalents     0.0488
_diffrn_reflns_av_sigmaI/netI     0.0214
_diffrn_reflns_theta_min     4.21
_diffrn_reflns_theta_max     26.37
_diffrn_reflns_theta_full     26.37
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     633
_reflns_number_gt     628
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0218
_refine_ls_R_factor_gt     0.0217
_refine_ls_wR_factor_gt     0.0527
_refine_ls_wR_factor_ref     0.0528
_refine_ls_goodness_of_fit_ref     1.151
_refine_ls_restrained_S_all     1.150
_refine_ls_number_reflns     633
_refine_ls_number_parameters     38
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0131P)²+7.7310P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.864
_refine_diff_density_min     -2.841
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0081(5)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 280 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.03(3)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Er' 'Er' -0.2586 4.9576
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Er Er 0.85842(5) 0.64061(5) 0.24518(19) 0.02066(18) Uani d . 1 . .
    Ag Ag2 0.0000 0.0000 0.9635(19) 0.076(2) Uani d SP 0.50 . .
    Ge Ge1 0.3333 0.6667 0.3216(3) 0.0119(4) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9460(7) 0.0134(9) Uani d S 1 . .
    S S2 0.8949(3) 0.7418(3) 0.6936(5) 0.0238(7) Uani d . 1 . .
    S S3 0.5725(3) 0.4776(3) 0.9825(4) 0.0154(5) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Er S2 6_654 2.699(3) ?
    Er S2 . 2.753(3) ?
    Er S2 5_564 2.761(3) ?
    Er S3 3_664 2.784(3) ?
    Er S3 1_554 2.853(3) ?
    Er S1 4_664 2.8566(19) ?
    Er S3 6_654 3.020(3) ?
    Er Ag2 4_664 3.295(4) ?
    Er Ag2 1_664 3.454(6) ?
    Ag2 S2 4_665 2.560(7) ?
    Ag2 S2 6_545 2.560(7) ?
    Ag2 S2 5_455 2.560(7) ?
    Ag2 S2 1_445 2.688(7) ?
    Ag2 S2 3_565 2.688(7) ?
    Ag2 S2 2_655 2.688(7) ?
    Ag2 Ag2 4_554 2.9154(6) ?
    Ag2 Ag2 4 2.9154(6) ?
    Ag2 Er 5_455 3.295(4) ?
    Ag2 Er 4_665 3.295(4) ?
    Ag2 Er 6_545 3.295(4) ?
    Ag2 Er 2_656 3.454(5) ?
    Ge1 S1 1_554 2.190(4) ?
    Ge1 S3 5_564 2.223(3) ?
    Ge1 S3 6_554 2.223(3) ?
    Ge1 S3 4_664 2.223(3) ?
    S1 Ge1 1_556 2.190(4) ?
    S1 Er 6 2.8566(19) ?
    S1 Er 4_665 2.8566(19) ?
    S1 Er 5_565 2.8566(19) ?
    S2 Ag2 4_664 2.560(7) ?
    S2 Ag2 1_665 2.688(7) ?
    S2 Er 5_565 2.699(2) ?
    S2 Er 6_655 2.761(3) ?
    S3 Ge1 4_665 2.223(3) ?
    S3 Er 2_656 2.784(3) ?
    S3 Er 1_556 2.853(3) ?
    S3 Er 5_565 3.020(3) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Er S2 6_654 . 83.78(8) ?
    S2 Er S2 6_654 5_564 87.49(12) ?
    S2 Er S2 . 5_564 82.62(8) ?
    S2 Er S3 6_654 3_664 97.24(8) ?
    S2 Er S3 . 3_664 138.35(8) ?
    S2 Er S3 5_564 3_664 138.98(9) ?
    S2 Er S3 6_654 1_554 137.50(9) ?
    S2 Er S3 . 1_554 128.56(8) ?
    S2 Er S3 5_564 1_554 72.95(7) ?
    S3 Er S3 3_664 1_554 76.52(10) ?
    S2 Er S1 6_654 4_664 146.88(8) ?
    S2 Er S1 . 4_664 83.26(10) ?
    S2 Er S1 5_564 4_664 120.73(7) ?
    S3 Er S1 3_664 4_664 73.40(8) ?
    S3 Er S1 1_554 4_664 72.38(8) ?
    S2 Er S3 6_654 6_654 71.23(8) ?
    S2 Er S3 . 6_654 70.50(7) ?
    S2 Er S3 5_564 6_654 146.97(8) ?
    S3 Er S3 3_664 6_654 70.57(4) ?
    S3 Er S3 1_554 6_654 139.30(7) ?
    S1 Er S3 4_664 6_654 75.73(6) ?
    S2 Er Ag2 6_654 4_664 52.15(11) ?
    S2 Er Ag2 . 4_664 49.08(19) ?
    S2 Er Ag2 5_564 4_664 51.80(10) ?
    S3 Er Ag2 3_664 4_664 149.39(11) ?
    S3 Er Ag2 1_554 4_664 124.65(10) ?
    S1 Er Ag2 4_664 4_664 130.8(2) ?
    S3 Er Ag2 6_654 4_664 95.37(12) ?
    S2 Er Ag2 6_654 1_664 47.22(8) ?
    S2 Er Ag2 . 1_664 100.19(17) ?
    S2 Er Ag2 5_564 1_664 47.02(8) ?
    S3 Er Ag2 3_664 1_664 110.90(16) ?
    S3 Er Ag2 1_554 1_664 95.13(13) ?
    S1 Er Ag2 4_664 1_664 165.81(5) ?
    S3 Er Ag2 6_654 1_664 118.43(7) ?
    Ag2 Er Ag2 4_664 1_664 51.12(2) ?
    S2 Ag2 S2 4_665 6_545 95.0(3) ?
    S2 Ag2 S2 4_665 5_455 95.0(3) ?
    S2 Ag2 S2 6_545 5_455 95.0(3) ?
    S2 Ag2 S2 4_665 1_445 175.8(4) ?
    S2 Ag2 S2 6_545 1_445 87.80(5) ?
    S2 Ag2 S2 5_455 1_445 87.80(5) ?
    S2 Ag2 S2 4_665 3_565 87.80(5) ?
    S2 Ag2 S2 6_545 3_565 175.8(4) ?
    S2 Ag2 S2 5_455 3_565 87.80(5) ?
    S2 Ag2 S2 1_445 3_565 89.2(3) ?
    S2 Ag2 S2 4_665 2_655 87.80(5) ?
    S2 Ag2 S2 6_545 2_655 87.80(5) ?
    S2 Ag2 S2 5_455 2_655 175.8(4) ?
    S2 Ag2 S2 1_445 2_655 89.2(3) ?
    S2 Ag2 S2 3_565 2_655 89.2(3) ?
    S2 Ag2 Ag2 4_665 4_554 121.6(2) ?
    S2 Ag2 Ag2 6_545 4_554 121.6(2) ?
    S2 Ag2 Ag2 5_455 4_554 121.6(2) ?
    S2 Ag2 Ag2 1_445 4_554 54.2(2) ?
    S2 Ag2 Ag2 3_565 4_554 54.2(2) ?
    S2 Ag2 Ag2 2_655 4_554 54.2(2) ?
    S2 Ag2 Ag2 4_665 4 58.4(2) ?
    S2 Ag2 Ag2 6_545 4 58.4(2) ?
    S2 Ag2 Ag2 5_455 4 58.4(2) ?
    S2 Ag2 Ag2 1_445 4 125.8(2) ?
    S2 Ag2 Ag2 3_565 4 125.8(2) ?
    S2 Ag2 Ag2 2_655 4 125.8(2) ?
    Ag2 Ag2 Ag2 4_554 4 180.000(4) ?
    S2 Ag2 Er 4_665 5_455 127.26(7) ?
    S2 Ag2 Er 6_545 5_455 125.81(7) ?
    S2 Ag2 Er 5_455 5_455 54.35(7) ?
    S2 Ag2 Er 1_445 5_455 52.43(11) ?
    S2 Ag2 Er 3_565 5_455 53.82(11) ?
    S2 Ag2 Er 2_655 5_455 121.4(4) ?
    Ag2 Ag2 Er 4_554 5_455 67.27(18) ?
    Ag2 Ag2 Er 4 5_455 112.73(18) ?
    S2 Ag2 Er 4_665 4_665 54.35(7) ?
    S2 Ag2 Er 6_545 4_665 127.26(8) ?
    S2 Ag2 Er 5_455 4_665 125.81(7) ?
    S2 Ag2 Er 1_445 4_665 121.4(4) ?
    S2 Ag2 Er 3_565 4_665 52.43(11) ?
    S2 Ag2 Er 2_655 4_665 53.82(11) ?
    Ag2 Ag2 Er 4_554 4_665 67.27(18) ?
    Ag2 Ag2 Er 4 4_665 112.73(18) ?
    Er Ag2 Er 5_455 4_665 106.0(2) ?
    S2 Ag2 Er 4_665 6_545 125.81(7) ?
    S2 Ag2 Er 6_545 6_545 54.35(7) ?
    S2 Ag2 Er 5_455 6_545 127.26(7) ?
    S2 Ag2 Er 1_445 6_545 53.82(11) ?
    S2 Ag2 Er 3_565 6_545 121.4(4) ?
    S2 Ag2 Er 2_655 6_545 52.43(11) ?
    Ag2 Ag2 Er 4_554 6_545 67.27(18) ?
    Ag2 Ag2 Er 4 6_545 112.73(18) ?
    Er Ag2 Er 5_455 6_545 106.0(2) ?
    Er Ag2 Er 4_665 6_545 106.0(2) ?
    S2 Ag2 Er 4_665 2_656 50.69(11) ?
    S2 Ag2 Er 6_545 2_656 52.12(12) ?
    S2 Ag2 Er 5_455 2_656 120.0(4) ?
    S2 Ag2 Er 1_445 2_656 130.10(7) ?
    S2 Ag2 Er 3_565 2_656 128.73(6) ?
    S2 Ag2 Er 2_655 2_656 64.22(7) ?
    Ag2 Ag2 Er 4_554 2_656 118.39(17) ?
    Ag2 Ag2 Er 4 2_656 61.61(17) ?
    Er Ag2 Er 5_455 2_656 174.3(3) ?
    Er Ag2 Er 4_665 2_656 77.17(2) ?
    Er Ag2 Er 6_545 2_656 77.17(2) ?
    S1 Ge1 S3 1_554 5_564 114.96(8) ?
    S1 Ge1 S3 1_554 6_554 114.96(8) ?
    S3 Ge1 S3 5_564 6_554 103.46(9) ?
    S1 Ge1 S3 1_554 4_664 114.96(8) ?
    S3 Ge1 S3 5_564 4_664 103.46(9) ?
    S3 Ge1 S3 6_554 4_664 103.46(9) ?
    Ge1 S1 Er 1_556 6 114.20(8) ?
    Ge1 S1 Er 1_556 4_665 114.20(8) ?
    Er S1 Er 6 4_665 104.35(9) ?
    Ge1 S1 Er 1_556 5_565 114.20(8) ?
    Er S1 Er 6 5_565 104.35(9) ?
    Er S1 Er 4_665 5_565 104.35(9) ?
    Ag2 S2 Ag2 4_664 1_665 67.44(7) ?
    Ag2 S2 Er 4_664 5_565 82.09(10) ?
    Ag2 S2 Er 1_665 5_565 75.42(7) ?
    Ag2 S2 Er 4_664 . 76.6(2) ?
    Ag2 S2 Er 1_665 . 144.0(2) ?
    Er S2 Er 5_565 . 101.16(9) ?
    Ag2 S2 Er 4_664 6_655 80.87(10) ?
    Ag2 S2 Er 1_665 6_655 74.39(7) ?
    Er S2 Er 5_565 6_655 149.19(11) ?
    Er S2 Er . 6_655 99.59(8) ?
    Ge1 S3 Er 4_665 2_656 90.90(8) ?
    Ge1 S3 Er 4_665 1_556 89.11(8) ?
    Er S3 Er 2_656 1_556 106.35(9) ?
    Ge1 S3 Er 4_665 5_565 117.62(11) ?
    Er S3 Er 2_656 5_565 146.82(9) ?
    Er S3 Er 1_556 5_565 91.58(7) ?
data_y
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common     ?
_chemical_formula_moiety     'Ag0.50 Ge S7 Y3'
_chemical_formula_sum     'Ag0.50 Ge S7 Y3'
_chemical_formula_weight     617.67
_chemical_melting_point     ?
_symmetry_cell_setting     Hexagonal
_symmetry_space_group_name_H-M     'P 63'
_symmetry_space_group_name_Hall     'P 6c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-y, x-y, z'
    '-x+y, -x, z'
    '-x, -y, z+1/2'
    'y, -x+y, z+1/2'
    'x-y, x, z+1/2'
_cell_length_a     9.8090(14)
_cell_length_b     9.8090(14)
_cell_length_c     5.8059(12)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     120.00
_cell_volume     483.78(14)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     641
_cell_measurement_theta_min     4.16
_cell_measurement_theta_max     26.31
_cell_measurement_temperature     295(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     'dark red'
_exptl_crystal_size_max     0.09
_exptl_crystal_size_mid     0.06
_exptl_crystal_size_min     0.05
_exptl_crystal_density_diffrn     4.240
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     569
_exptl_absorpt_coefficient_mu     23.310
_exptl_absorpt_correction_type     numerical
_exptl_absorpt_process_details     'CrysAlis (Oxford Diffraction, 2007)'
_exptl_absorpt_correction_T_min     0.107
_exptl_absorpt_correction_T_max     0.210
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     295(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'KUMA KM-4 with area CCD detector'
_diffrn_measurement_method     'ω-scan'
_diffrn_detector_area_resol_mean     '1024x1024 with blocks 2x2, 33.133pixel/mm'
_diffrn_reflns_number     5168
_diffrn_reflns_av_R_equivalents     0.0495
_diffrn_reflns_av_sigmaI/netI     0.0268
_diffrn_reflns_theta_min     4.16
_diffrn_reflns_theta_max     26.31
_diffrn_reflns_theta_full     26.31
_diffrn_measured_fraction_theta_max     0.992
_diffrn_measured_fraction_theta_full     0.992
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -7
_diffrn_reflns_limit_l_max     7
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     657
_reflns_number_gt     641
_reflns_threshold_expression     >2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0221
_refine_ls_R_factor_gt     0.0210
_refine_ls_wR_factor_gt     0.0438
_refine_ls_wR_factor_ref     0.0441
_refine_ls_goodness_of_fit_ref     1.123
_refine_ls_restrained_S_all     1.122
_refine_ls_number_reflns     657
_refine_ls_number_parameters     38
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     none
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0228P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     '.'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     '<0.001'
_refine_ls_shift/su_mean     '<0.001'
_refine_diff_density_max     0.595
_refine_diff_density_min     -1.379
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef     0.0058(9)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_abs_structure_details
                 'Flack H D (1983), Acta Cryst. A39, 876-881, 294 Friedel pairs'
_refine_ls_abs_structure_Flack     -0.036(11)
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'S' 'S' 0.1246 0.1234
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ge' 'Ge' 0.1547 1.8001
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Y' 'Y' -2.7962 3.5667
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Ag' 'Ag' -0.8971 1.1015
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrysAlis CCD (Oxford Diffraction, 2007)'
_computing_cell_refinement     'CrysAlis RED'
_computing_data_reduction     'CrysAlis RED'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material     ?
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_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Y Y 0.86329(5) 0.64088(5) 0.24445(13) 0.01737(15) Uani d . 1 . .
    Ag Ag2 0.0000 0.0000 0.0009(7) 0.0814(10) Uani d SP 0.50 . .
    Ge Ge1 0.3333 0.6667 0.32329(13) 0.0112(2) Uani d S 1 . .
    S S1 0.3333 0.6667 0.9465(4) 0.0115(5) Uani d S 1 . .
    S S2 0.89780(14) 0.73969(16) 0.7021(2) 0.0207(3) Uani d . 1 . .
    S S3 0.57643(15) 0.47892(15) 0.9833(2) 0.0136(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Y S2 6_654 2.7361(14) ?
    Y S2 . 2.7906(16) ?
    Y S2 5_564 2.7944(13) ?
    Y S3 3_664 2.7946(14) ?
    Y S3 1_554 2.8758(14) ?
    Y S1 4_664 2.8944(11) ?
    Y S3 6_654 3.0089(14) ?
    Y S2 1_554 3.2618(17) ?
    Y Ag2 1_665 3.3885(19) ?
    Y Ag2 4_665 3.421(2) ?
    Ag2 S2 4_664 2.516(2) ?
    Ag2 S2 6_544 2.516(2) ?
    Ag2 S2 5_454 2.516(2) ?
    Ag2 S2 1_444 2.824(3) ?
    Ag2 S2 3_564 2.824(3) ?
    Ag2 S2 2_654 2.824(3) ?
    Ag2 Ag2 4 2.9029(6) ?
    Ag2 Ag2 4_554 2.9029(6) ?
    Ag2 Y 2_655 3.3885(19) ?
    Ag2 Y 1_445 3.3885(19) ?
    Ag2 Y 3_565 3.3885(19) ?
    Ag2 Y 5_454 3.4207(19) ?
    Ge1 S1 1_554 2.188(2) ?
    Ge1 S3 5_564 2.2249(14) ?
    Ge1 S3 6_554 2.2249(14) ?
    Ge1 S3 4_664 2.2249(13) ?
    S1 Ge1 1_556 2.188(2) ?
    S1 Y 6 2.8944(11) ?
    S1 Y 4_665 2.8944(11) ?
    S1 Y 5_565 2.8944(11) ?
    S2 Ag2 4_665 2.516(2) ?
    S2 Y 5_565 2.7361(13) ?
    S2 Y 6_655 2.7944(13) ?
    S2 Ag2 1_666 2.824(3) ?
    S2 Y 1_556 3.2618(17) ?
    S3 Ge1 4_665 2.2249(13) ?
    S3 Y 2_656 2.7946(14) ?
    S3 Y 1_556 2.8758(14) ?
    S3 Y 5_565 3.0089(14) ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    S2 Y S2 6_654 . 82.92(4) ?
    S2 Y S2 6_654 5_564 88.50(6) ?
    S2 Y S2 . 5_564 81.88(4) ?
    S2 Y S3 6_654 3_664 99.71(4) ?
    S2 Y S3 . 3_664 137.94(4) ?
    S2 Y S3 5_564 3_664 139.84(5) ?
    S2 Y S3 6_654 1_554 138.86(5) ?
    S2 Y S3 . 1_554 127.53(4) ?
    S2 Y S3 5_564 1_554 72.15(4) ?
    S3 Y S3 3_664 1_554 76.26(5) ?
    S2 Y S1 6_654 4_664 147.46(4) ?
    S2 Y S1 . 4_664 83.00(5) ?
    S2 Y S1 5_564 4_664 118.23(3) ?
    S3 Y S1 3_664 4_664 72.48(4) ?
    S3 Y S1 1_554 4_664 71.33(4) ?
    S2 Y S3 6_654 6_654 70.64(4) ?
    S2 Y S3 . 6_654 70.20(4) ?
    S2 Y S3 5_564 6_654 146.62(4) ?
    S3 Y S3 3_664 6_654 71.28(3) ?
    S3 Y S3 1_554 6_654 139.99(4) ?
    S1 Y S3 4_664 6_654 77.00(3) ?
    S2 Y S2 6_654 1_554 74.62(4) ?
    S2 Y S2 . 1_554 147.08(5) ?
    S2 Y S2 5_564 1_554 73.90(4) ?
    S3 Y S2 3_664 1_554 70.70(4) ?
    S3 Y S2 1_554 1_554 65.34(4) ?
    S1 Y S2 4_664 1_554 128.09(5) ?
    S3 Y S2 6_654 1_554 122.05(4) ?
    S2 Y Ag2 6_654 1_665 47.03(4) ?
    S2 Y Ag2 . 1_665 96.89(7) ?
    S2 Y Ag2 5_564 1_665 46.81(4) ?
    S3 Y Ag2 3_664 1_665 115.64(7) ?
    S3 Y Ag2 1_554 1_665 97.10(6) ?
    S1 Y Ag2 4_664 1_665 164.509(17) ?
    S3 Y Ag2 6_654 1_665 117.64(4) ?
    S2 Y Ag2 1_554 1_665 50.21(7) ?
    S2 Y Ag2 6_654 4_665 53.20(4) ?
    S2 Y Ag2 . 4_665 46.43(7) ?
    S2 Y Ag2 5_564 4_665 52.89(4) ?
    S3 Y Ag2 3_664 4_665 152.76(4) ?
    S3 Y Ag2 1_554 4_665 124.74(4) ?
    S1 Y Ag2 4_664 4_665 127.64(8) ?
    S3 Y Ag2 6_654 4_665 93.92(5) ?
    S2 Y Ag2 1_554 4_665 100.67(7) ?
    Ag2 Y Ag2 1_665 4_665 50.467(13) ?
    S2 Ag2 S2 4_664 6_544 100.17(11) ?
    S2 Ag2 S2 4_664 5_454 100.17(11) ?
    S2 Ag2 S2 6_544 5_454 100.17(11) ?
    S2 Ag2 S2 4_664 1_444 169.76(16) ?
    S2 Ag2 S2 6_544 1_444 86.32(3) ?
    S2 Ag2 S2 5_454 1_444 86.32(3) ?
    S2 Ag2 S2 4_664 3_564 86.32(3) ?
    S2 Ag2 S2 6_544 3_564 169.76(16) ?
    S2 Ag2 S2 5_454 3_564 86.32(3) ?
    S2 Ag2 S2 1_444 3_564 86.21(11) ?
    S2 Ag2 S2 4_664 2_654 86.32(3) ?
    S2 Ag2 S2 6_544 2_654 86.32(3) ?
    S2 Ag2 S2 5_454 2_654 169.76(16) ?
    S2 Ag2 S2 1_444 2_654 86.21(11) ?
    S2 Ag2 S2 3_564 2_654 86.21(11) ?
    S2 Ag2 Ag2 4_664 4 62.33(9) ?
    S2 Ag2 Ag2 6_544 4 62.33(9) ?
    S2 Ag2 Ag2 5_454 4 62.33(9) ?
    S2 Ag2 Ag2 1_444 4 127.90(7) ?
    S2 Ag2 Ag2 3_564 4 127.90(7) ?
    S2 Ag2 Ag2 2_654 4 127.90(7) ?
    S2 Ag2 Ag2 4_664 4_554 117.67(9) ?
    S2 Ag2 Ag2 6_544 4_554 117.67(9) ?
    S2 Ag2 Ag2 5_454 4_554 117.67(9) ?
    S2 Ag2 Ag2 1_444 4_554 52.10(7) ?
    S2 Ag2 Ag2 3_564 4_554 52.10(7) ?
    S2 Ag2 Ag2 2_654 4_554 52.10(7) ?
    Ag2 Ag2 Ag2 4 4_554 180.0 ?
    S2 Ag2 Y 4_664 2_655 52.73(4) ?
    S2 Ag2 Y 6_544 2_655 54.08(5) ?
    S2 Ag2 Y 5_454 2_655 127.67(15) ?
    S2 Ag2 Y 1_444 2_655 128.55(4) ?
    S2 Ag2 Y 3_564 2_655 127.33(4) ?
    S2 Ag2 Y 2_654 2_655 62.57(3) ?
    Ag2 Ag2 Y 4 2_655 65.34(7) ?
    Ag2 Ag2 Y 4_554 2_655 114.66(7) ?
    S2 Ag2 Y 4_664 1_445 127.67(15) ?
    S2 Ag2 Y 6_544 1_445 52.73(4) ?
    S2 Ag2 Y 5_454 1_445 54.08(5) ?
    S2 Ag2 Y 1_444 1_445 62.57(3) ?
    S2 Ag2 Y 3_564 1_445 128.55(4) ?
    S2 Ag2 Y 2_654 1_445 127.33(4) ?
    Ag2 Ag2 Y 4 1_445 65.34(7) ?
    Ag2 Ag2 Y 4_554 1_445 114.66(7) ?
    Y Ag2 Y 2_655 1_445 103.82(8) ?
    S2 Ag2 Y 4_664 3_565 54.08(5) ?
    S2 Ag2 Y 6_544 3_565 127.67(15) ?
    S2 Ag2 Y 5_454 3_565 52.73(4) ?
    S2 Ag2 Y 1_444 3_565 127.33(4) ?
    S2 Ag2 Y 3_564 3_565 62.57(3) ?
    S2 Ag2 Y 2_654 3_565 128.55(4) ?
    Ag2 Ag2 Y 4 3_565 65.34(7) ?
    Ag2 Ag2 Y 4_554 3_565 114.66(7) ?
    Y Ag2 Y 2_655 3_565 103.82(8) ?
    Y Ag2 Y 1_445 3_565 103.82(8) ?
    S2 Ag2 Y 4_664 5_454 127.60(3) ?
    S2 Ag2 Y 6_544 5_454 126.26(3) ?
    S2 Ag2 Y 5_454 5_454 53.48(4) ?
    S2 Ag2 Y 1_444 5_454 50.88(5) ?
    S2 Ag2 Y 3_564 5_454 52.10(4) ?
    S2 Ag2 Y 2_654 5_454 116.28(13) ?
    Ag2 Ag2 Y 4 5_454 115.81(7) ?
    Ag2 Ag2 Y 4_554 5_454 64.19(7) ?
    Y Ag2 Y 2_655 5_454 178.85(13) ?
    Y Ag2 Y 1_445 5_454 76.853(8) ?
    Y Ag2 Y 3_565 5_454 76.853(8) ?
    S1 Ge1 S3 1_554 5_564 114.68(4) ?
    S1 Ge1 S3 1_554 6_554 114.68(4) ?
    S3 Ge1 S3 5_564 6_554 103.79(4) ?
    S1 Ge1 S3 1_554 4_664 114.68(4) ?
    S3 Ge1 S3 5_564 4_664 103.79(4) ?
    S3 Ge1 S3 6_554 4_664 103.79(4) ?
    Ge1 S1 Y 1_556 6 113.90(4) ?
    Ge1 S1 Y 1_556 4_665 113.90(4) ?
    Y S1 Y 6 4_665 104.70(5) ?
    Ge1 S1 Y 1_556 5_565 113.90(4) ?
    Y S1 Y 6 5_565 104.70(5) ?
    Y S1 Y 4_665 5_565 104.70(5) ?
    Ag2 S2 Y 4_665 5_565 80.24(4) ?
    Ag2 S2 Y 4_665 . 80.09(9) ?
    Y S2 Y 5_565 . 99.94(4) ?
    Ag2 S2 Y 4_665 6_655 79.11(4) ?
    Y S2 Y 5_565 6_655 149.35(6) ?
    Y S2 Y . 6_655 98.53(4) ?
    Ag2 S2 Ag2 4_665 1_666 65.57(4) ?
    Y S2 Ag2 5_565 1_666 75.92(3) ?
    Y S2 Ag2 . 1_666 145.65(9) ?
    Y S2 Ag2 6_655 1_666 75.01(3) ?
    Ag2 S2 Y 4_665 1_556 132.79(10) ?
    Y S2 Y 5_565 1_556 89.31(4) ?
    Y S2 Y . 1_556 147.08(5) ?
    Y S2 Y 6_655 1_556 88.31(4) ?
    Ag2 S2 Y 1_666 1_556 67.22(7) ?
    Ge1 S3 Y 4_665 2_656 91.02(5) ?
    Ge1 S3 Y 4_665 1_556 88.93(4) ?
    Y S3 Y 2_656 1_556 107.85(5) ?
    Ge1 S3 Y 4_665 5_565 118.37(5) ?
    Y S3 Y 2_656 5_565 145.19(5) ?
    Y S3 Y 1_556 5_565 91.94(4) ?
