data_[P1W1Cl3]
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 [P1]
_cell_length_a [3.1575]
_cell_length_b [7.8860]
_cell_length_c [18.5609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.5441]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PWCl3]
_chemical_formula_sum '[P1 W1 Cl3]'
_cell_volume [460.0041]
_cell_formula_units_Z [1]
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  1  0.1226  0.8519  0.5842  1
  W  W1  1  0.6496  0.9745  0.4956  1
  Cl  Cl2  1  0.1555  0.9487  0.3924  1
  Cl  Cl3  1  0.1974  0.2057  0.5218  1
  Cl  Cl4  1  0.7879  0.6668  0.5060  1
]