data_image0
_chemical_formula_structural       PS2
_chemical_formula_sum              "P1 S2"
_cell_length_a       3.168433779108826
_cell_length_b       3.1684337791088297
_cell_length_c       18.127
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    119.99999999999999

_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  0.9999999999999997  0.9999999999999997  0.5  1.0000
  S   S1        1.0  0.666666667237521  0.33333333419377564  0.5864966806421361  1.0000
  S   S2        1.0  0.6666666672375211  0.33333333419377575  0.413503319357864  1.0000