data_[P8S10]
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 [P2_1]
_cell_length_a [6.9205]
_cell_length_b [11.5621]
_cell_length_c [7.5148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [P4S5]
_chemical_formula_sum '[P8 S10]'
_cell_volume [553.9485]
_cell_formula_units_Z [2]
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  2  0.2586  0.7573  0.4464  1.0
  P  P1  2  0.3199  0.5136  0.6048  1.0
  P  P2  2  0.4641  0.1350  0.4724  1.0
  P  P3  2  0.4856  0.2363  0.0746  1.0
  S  S4  2  0.0597  0.6125  0.4027  1.0
  S  S5  2  0.1729  0.8690  0.2368  1.0
  S  S6  2  0.2664  0.2024  0.2092  1.0
  S  S7  2  0.2942  0.8420  0.7083  1.0
  S  S8  2  0.3700  0.5708  0.8893  1.0
]