data_[W4O4F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [4.5016]
_cell_length_b [6.6657]
_cell_length_c [6.0522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [WOF2]
_chemical_formula_sum '[W4 O4 F8]'
_cell_volume [181.6017]
_cell_formula_units_Z [4]
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
[
  W  W0  4  0.0015  0.6309  0.2891  1
  O  O1  4  0.1278  0.5959  0.6051  1
  F  F2  4  0.1225  0.8966  0.3037  1
  F  F3  4  0.1541  0.2470  0.4841  1
]