data_[P8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [13.7035]
_cell_length_b [4.4564]
_cell_length_c [12.4942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [PS2]
_chemical_formula_sum '[P8 S16]'
_cell_volume [669.7785]
_cell_formula_units_Z [8]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  P0  4  0.1442  0.7001  0.9601  1.0
  P  P1  4  0.1795  0.5724  0.5403  1.0
  S  S2  4  0.0315  0.8364  0.4394  1.0
  S  S3  4  0.0842  0.9613  0.0616  1.0
  S  S4  4  0.1864  0.3994  0.3846  1.0
  S  S5  4  0.2115  0.0280  0.8844  1.0
]