data_[W12O12F24]
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 [Pbam]
_cell_length_a [11.9779]
_cell_length_b [12.8626]
_cell_length_c [3.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [WOF2]
_chemical_formula_sum '[W12 O12 F24]'
_cell_volume [530.4177]
_cell_formula_units_Z [12]
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  0.1069  0.7410  0.5000  1
  W  W1  4  0.1659  0.1710  0.0000  1
  W  W2  4  0.2071  0.4823  0.5000  1
  O  O3  4  0.1968  0.7635  0.0000  1
  O  O4  4  0.1996  0.0235  0.0000  1
  O  O5  4  0.2468  0.6456  0.5000  1
  F  F6  4  0.0014  0.7208  0.0000  1
  F  F7  4  0.0510  0.1557  0.5000  1
  F  F8  4  0.0647  0.5859  0.5000  1
  F  F9  4  0.1135  0.4581  0.0000  1
  F  F10  4  0.1415  0.8985  0.5000  1
  F  F11  4  0.1578  0.3318  0.5000  1
]