data_[V8O8F24]
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 [C2/c]
_cell_length_a [9.5208]
_cell_length_b [5.4991]
_cell_length_c [11.2601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VOF3]
_chemical_formula_sum '[V8 O8 F24]'
_cell_volume [589.5106]
_cell_formula_units_Z [8]
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  0.0000  0.0000  0.0000  1.0
  V  V1  4  0.0000  0.4049  0.7500  1.0
  O  O2  8  0.0263  0.2150  0.6327  1.0
  F  F3  8  0.0360  0.2600  0.0954  1.0
  F  F4  8  0.1645  0.4626  0.2779  1.0
  F  F5  8  0.1815  0.0208  0.4666  1.0
]