data_image0
_chemical_formula_structural       PtS2
_chemical_formula_sum              "Pt1 S2"
_cell_length_a       3.590516006081159
_cell_length_b       3.5903658572063373
_cell_length_c       5.093047010100437
_cell_angle_alpha    89.9999950957295
_cell_angle_beta     90.0061594204343
_cell_angle_gamma    119.99861296389442

_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  0.0  0.0  0.0  1.0000
  S   S1        1.0  0.33334243479999986  0.6666700853999998  0.23935835169999997  1.0000
  S   S2        1.0  0.6666553688  0.33332830669999997  0.7606422373  1.0000