data_image0
_chemical_formula_structural       Pt2S2Br2
_chemical_formula_sum              "Pt2 S2 Br2"
_cell_length_a       5.248964892012194
_cell_length_b       3.5427733392101546
_cell_length_c       21.341805962036666
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    90.0

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Pt  Pt1       1.0  0.5000000007608935  0.0  0.4570134588117685  1.0000
  Pt  Pt2       1.0  1.6886550645296829e-18  0.5000000001114727  0.5429865767036576  1.0000
  S   S1        1.0  0.5000000007608935  0.5000000001114727  0.5291320186345811  1.0000
  S   S2        1.0  1.4690185327372583e-18  0.0  0.4708680126637699  1.0000
  Br  Br1       1.0  0.5000000007608935  0.5000000001114727  0.3709027536882636  1.0000
  Br  Br2       1.0  1.9626636875142206e-18  0.0  0.6290972710501928  1.0000