data_[V4O8F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.2949]
_cell_length_b [5.1877]
_cell_length_c [5.2569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [VO2F]
_chemical_formula_sum '[V4 O8 F4]'
_cell_volume [211.5457]
_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
[
  V  V0  4  0.0004  0.2685  0.8162  1.0
  O  O1  4  0.0110  0.4725  0.1038  1.0
  O  O2  4  0.2953  0.3070  0.1089  1.0
  F  F3  4  0.0720  0.0281  0.6075  1.0
]