#Thick Rhomb decoration at 1013 K
data_AlCuRh_ThickRhomb_1013K
_pd_phase_name 'AlCuRh_ThickRhomb_1013K'
_cell_length_a 28.011
_cell_length_b 20.349
_cell_length_c 4.282
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_Number 1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x, y, -z+1/2'
'x, -y, -z+1/2'

loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
Rh35 1 0.99 0.5 0.25 Biso 3.80017 Rh
Rh38 1 0.476281 0.5 0.25 Biso 1.49358 Rh
Cu39 0.5 0.235513 0.5 0.377186 Biso 1.21055 Cu
Rh40 1 0.149874 0.5 0.25 Biso 0.815819 Rh
Al41 0.8 0.924993 0.575007 0.25 Biso 2.7703 Al
Al42 1 0.766006 0.733994 0.25 Biso 0.848163 Al
Cu43 1 0.568038 0.931962 0.25 Biso 2.98123 Cu
Cu44 0.5 0.5 0.99 0.518833 Biso 2.61149 Cu
Rh45 1 0.310466 0.810466 0.25 Biso 0.709975 Rh
Al46 0.5 0.236001 0.736001 0.25 Biso 3.24339 Al
Al47 1 0.083155 0.583158 0.25 Biso 1.50068 Al
Al48 0.5 0.834637 0.606968 0.25 Biso 1.69723 Al
Cu49 1 0.737535 0.611021 0.25 Biso 0.692915 Cu
Al50 1 0.664139 0.691338 0.25 Biso 2.88367 Al
Al52 0.5 0.597668 0.812774 0.324935 Biso 0.347548 Al
Rh53 1 0.574433 0.693073 0.25 Biso 4.02252 Rh
Al54 1 0.502142 0.782289 0.25 Biso 2.588 Al
Al55 1 0.506343 0.609645 0.25 Biso 1.7887 Al
Al56 1 0.468931 0.898485 0.25 Biso 1.98998 Al
Al58 1 0.401656 0.818976 0.25 Biso 0.232013 Al
Al59 1 0.331944 0.686754 0.25 Biso 3.22297 Al
Cu60 1 0.314183 0.564487 0.25 Biso 1.06655 Cu
Al61 0.5 0.175652 0.627449 0.25 Biso 0.843815 Al
Al62 0.6 0.85787 0.5 -0.25 Biso 2.00101 Al
Rh63 1 0.618804 0.5 -0.25 Biso 1.25819 Rh
Al64 1 0.526033 0.5 -0.25 Biso 3.53704 Al
Al65 1 0.311501 0.5 -0.25 Biso 1.57246 Al
Cu66 1 0.0841528 0.5 -0.25 Biso 0.711866 Cu
Cu67 0.5 0.00999843 0.5 0.0188334 Biso 2.61149 Cu
Rh68 1 0.880886 0.619114 -0.25 Biso 0.38239 Rh
Al69 0.5 0.688464 0.811537 -0.188958 Biso 2.34264 Al
Rh70 1 0.617389 0.882611 -0.25 Biso 2.33297 Rh
Al71 1 0.424706 0.924708 -0.25 Biso 2.76185 Al
Al72 0.5 0.265016 0.765016 -0.25 Biso 4.15637 Al
Rh73 1 0.192609 0.692608 -0.25 Biso 1.72847 Rh
Al74 1 0.785791 0.616878 -0.25 Biso 0.345421 Al
Cu75 1 0.711962 0.69539 -0.25 Biso 1.96478 Cu
Al76 1 0.68558 0.587391 -0.25 Biso 3.02395 Al
Cu77 1 0.614754 0.747474 -0.25 Biso 2.13733 Cu
Al78 0.5 0.586999 0.616006 -0.159783 Biso 0.987856 Al
Al79 1 0.53131 0.881272 -0.25 Biso 4.47253 Al
Rh81 0.5 0.457556 0.805368 -0.208524 Biso 1.29459 Rh
Al82 1 0.462223 0.589931 -0.25 Biso 1.62812 Al
Al83 0.5 0.434361 0.684748 0.0145011 Biso 3.89884 Al
Al84 0.5 0.35728 0.79031 -0.25 Biso 0.512537 Al
Rh85 1 0.356168 0.620273 -0.25 Biso 1.79792 Rh
Al86 1 0.264305 0.616774 -0.25 Biso 0.88135 Al
Al87 1 0.169544 0.566321 -0.25 Biso 0.706845 Al
Cu89 0.5 0.21192 0.606443 0.25 Biso 1.73184 Cu
Cu90 0.4 0.933957 0.5 -0.25 Biso 1.62681 Cu
Al91 0.5 0.570562 0.521186 0.25 Biso 1.69516 Al
Al93 0.5 0.397871 0.577355 0.289861 Biso 4.2319 Al
Al96 1 0.520381 0.704484 -0.25 Biso 1.38453 Al
Al101 1 0.771346 0.5 0.25 Biso 1.14216 Al
Al104 0.46937 0.654211 0.544164 0.25 Biso 2.59615 Al
Al107 0.2 0.956106 0.543894 -0.25 Biso 1.50297 Al

