data_image0
_chemical_formula_structural       Pt2S2I2
_chemical_formula_sum              "Pt2 S2 I2"
_cell_length_a       5.171268110453729
_cell_length_b       3.6845263913615494
_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  0.5000000009230106  4.526047279565956e-19  0.4560145499079053  1.0000
  Pt  Pt2       1.0  0.0  0.5000000011722606  0.5439856631932419  1.0000
  S   S1        1.0  0.5000000009230106  0.5000000011722606  0.5275244283462508  1.0000
  S   S2        1.0  0.0  0.0  0.47247578053782124  1.0000
  I   I1        1.0  0.5000000009230106  0.5000000011722606  0.3629948067085088  1.0000
  I   I2        1.0  0.0  0.0  0.6370053923357212  1.0000