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]
_cell_length_a [6.5694]
_cell_length_b [6.5564]
_cell_length_c [8.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4443]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [PSCl3]
_chemical_formula_sum '[P2 S2 Cl6]'
_cell_volume [376.7215]
_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  0.3605  0.7803  0.7480  1
  S  S1  2  0.3579  0.3459  0.2513  1
  Cl  Cl2  2  0.1972  0.8904  0.9262  1
  Cl  Cl3  2  0.1976  0.8843  0.5658  1
  Cl  Cl4  2  0.2879  0.4793  0.7490  1
]