data_[V2O4F2]
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 [Cm]
_cell_length_a [10.7668]
_cell_length_b [3.1885]
_cell_length_c [4.2412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3742]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [VO2F]
_chemical_formula_sum '[V2 O4 F2]'
_cell_volume [136.4896]
_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
[
  V  V0  2  0.0130  0.0000  0.0307  1.0
  O  O1  2  0.0119  0.0000  0.4120  1.0
  O  O2  2  0.0857  0.5000  0.9889  1.0
  F  F3  2  0.3427  0.5000  0.7862  1.0
]