data_[V4O4F8]
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 [9.1555]
_cell_length_b [5.3841]
_cell_length_c [5.4092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [VOF2]
_chemical_formula_sum '[V4 O4 F8]'
_cell_volume [218.2603]
_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  0.2720  0.2531  0.0216  1.0
  O  O1  4  0.4943  0.2763  0.2449  1.0
  F  F2  4  0.2262  0.4416  0.2845  1.0
  F  F3  4  0.2569  0.0582  0.6990  1.0
]