data_[P8W24]
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
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.9064]
_cell_length_b [9.9064]
_cell_length_c [4.8578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [PW3]
_chemical_formula_sum '[P8 W24]'
_cell_volume [476.7281]
_cell_formula_units_Z [8]
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  8  0.0092  0.7082  0.5005  1.0
  W  W1  8  0.0041  0.6451  0.0010  1.0
  W  W2  8  0.0913  0.0963  0.2320  1.0
  W  W3  8  0.1940  0.2051  0.7308  1.0
]