data_[Cd2W2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  W  2.3600  1.3500  0.7667
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5152]
_cell_length_b [8.5975]
_cell_length_c [5.4805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdWF6]
_chemical_formula_sum '[Cd2 W2 F12]'
_cell_volume [254.5679]
_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
[
  Cd  Cd0  2  0.0000  0.0000  0.0000  1.0
  W  W1  2  0.0000  0.5000  0.5000  1.0
  F  F2  8  0.2183  0.3510  0.7359  1.0
  F  F3  4  0.2445  0.5000  0.2777  1.0
]