data_[Cr8O2F22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.3572]
_cell_length_b [5.0989]
_cell_length_c [8.7445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cr4OF11]
_chemical_formula_sum '[Cr8 O2 F22]'
_cell_volume [398.0277]
_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
[
  Cr  Cr0  4  0.1183  0.6231  0.3821  1.0
  Cr  Cr1  4  0.1264  0.1262  0.8738  1.0
  O  O2  2  0.0000  0.5011  0.5000  1.0
  F  F3  4  0.0002  0.9374  0.6878  1.0
  F  F4  4  0.0003  0.4362  0.1913  1.0
  F  F5  4  0.2475  0.7426  0.2532  1.0
  F  F6  4  0.2496  0.3149  0.0606  1.0
  F  F7  4  0.2496  0.8174  0.5601  1.0
  F  F8  2  0.0000  0.0032  0.0000  1.0
]