data_image0
_chemical_formula_structural       PtS2
_chemical_formula_sum              "Pt1 S2"
_cell_length_a       3.2737107931824183
_cell_length_b       3.273710787743055
_cell_length_c       18.40825468531916
_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  4.219073132364422e-19  7.547684908989391e-38  0.500000000398757  1.0000
  S   S1        1.0  4.670877031496242e-19  0.49999999881738866  0.5871651834880401  1.0000
  S   S2        1.0  0.5000000010412621  8.94471924035814e-20  0.41283481622300466  1.0000