data_image0
_chemical_formula_structural       PS2
_chemical_formula_sum              "P1 S2"
_cell_length_a       3.6189423508078433
_cell_length_b       3.6189423508079455
_cell_length_c       18.662813126546318
_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
  P   P1        1.0  0.0  6.966762198329988e-35  0.49999999982461596  1.0000
  S   S1        1.0  0.0  0.5000000012699919  0.5641817885977248  1.0000
  S   S2        1.0  0.500000001270006  7.927727108574408e-19  0.4358182115873319  1.0000