data_image0
_chemical_formula_structural       PSPS2
_chemical_formula_sum              "P2 S3"
_cell_length_a       3.4651516877329755
_cell_length_b       3.4651583685693903
_cell_length_c       22.162984280000003
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00002400810571

_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
  P   P1        1.0  0.3329451300551172  0.8324646853256237  0.571731644525626  1.0000
  S   S1        1.0  0.3333541461329044  0.8324655642901575  0.3692172288992842  1.0000
  P   P2        1.0  0.9996942853611593  0.1659257479224715  0.42826856393005563  1.0000
  S   S2        1.0  0.00010030655380011133  0.16592474068196206  0.6307827106395437  1.0000
  S   S3        1.0  0.6667007491380385  0.49919515102420287  0.5000000045120276  1.0000