data_[V2O2F6]
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 [Pc]
_cell_length_a [5.5195]
_cell_length_b [5.4920]
_cell_length_c [5.5796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [VOF3]
_chemical_formula_sum '[V2 O2 F6]'
_cell_volume [146.2743]
_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  0.0062  0.2782  0.5616  1.0
  O  O1  2  0.0587  0.4659  0.8137  1.0
  F  F2  2  0.3475  0.1920  0.6403  1.0
  F  F3  2  0.6501  0.3203  0.3063  1.0
  F  F4  2  0.9375  0.0052  0.1781  1.0
]