data_[P4S8Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9130]
_cell_length_b [6.9481]
_cell_length_c [12.7079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PS2Cl]
_chemical_formula_sum '[P4 S8 Cl4]'
_cell_volume [512.5637]
_cell_formula_units_Z [4]
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  0.2349  0.0215  0.4617  1.0
  S  S1  4  0.0562  0.7143  0.9996  1.0
  S  S2  4  0.4715  0.1755  0.5684  1.0
  Cl  Cl3  4  0.1701  0.1121  0.3037  1.0
]