data_image0
_chemical_formula_structural       PtSPtS
_chemical_formula_sum              "Pt2 S2"
_cell_length_a       3.407008272742317
_cell_length_b       4.471430114990748
_cell_length_c       17.3992547
_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  0.0  0.9996715771101785  0.5002266878707167  1.0000
  S   S1        1.0  0.0  0.3739860664250726  0.590001496443408  1.0000
  Pt  Pt2       1.0  0.5000000010651109  0.4994499170439614  0.4999060051692904  1.0000
  S   S2        1.0  0.0  0.6265430338735813  0.4100652799800672  1.0000