data_[P2S2Cl6]
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/m]
_cell_length_a [6.6095]
_cell_length_b [8.7537]
_cell_length_c [6.6727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5837]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PSCl3]
_chemical_formula_sum '[P2 S2 Cl6]'
_cell_volume [370.0089]
_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  0.3314  0.7500  0.6151  1.0
  S  S1  2  0.2508  0.7500  0.3175  1.0
  Cl  Cl2  4  0.2308  0.5694  0.7519  1.0
  Cl  Cl3  2  0.3532  0.2500  0.2407  1.0
]