data_[P4W2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5262]
_cell_length_b [8.9495]
_cell_length_c [8.9689]
_cell_angle_alpha [82.6896]
_cell_angle_beta [79.1290]
_cell_angle_gamma [83.5969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [P2WCl6]
_chemical_formula_sum '[P4 W2 Cl12]'
_cell_volume [586.0688]
_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  0.3691  0.0076  0.6820  1
  P  P1  2  0.3723  0.9579  0.4557  1
  W  W2  2  0.2023  0.7055  0.1935  1
  Cl  Cl3  2  0.0690  0.3562  0.6571  1
  Cl  Cl4  2  0.0997  0.9614  0.2033  1
  Cl  Cl5  2  0.1191  0.6859  0.9690  1
  Cl  Cl6  2  0.3018  0.7265  0.4609  1
  Cl  Cl7  2  0.3243  0.4580  0.2309  1
  Cl  Cl8  2  0.4894  0.7787  0.0880  1
]