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  0.4999999999999999  5.662977055007002e-16  0.4570134587318654  1.0000
  Pt  Pt2       1.0  8.929705426946145e-17  0.49999999999999994  0.5429865767713365  1.0000
  S   S1        1.0  0.4999999999999999  0.49999999999999994  0.5291320185945326  1.0000
  S   S2        1.0  2.790088657379362e-17  0.0  0.470868012597569  1.0000
  Br  Br1       1.0  0.4999999999999999  0.49999999999999994  0.3709027536380643  1.0000
  Br  Br2       1.0  4.414620637150224e-18  7.598116305178546e-18  0.629097270998632  1.0000