data_[V12O18F6]
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]
_cell_length_a [8.8159]
_cell_length_b [6.8703]
_cell_length_c [7.0911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [V2O3F]
_chemical_formula_sum '[V12 O18 F6]'
_cell_volume [399.6875]
_cell_formula_units_Z [6]
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  0.1668  0.4962  0.1668  1.0
  V  V1  4  0.1671  0.5398  0.6674  1.0
  V  V2  2  0.0000  0.9529  0.0000  1.0
  V  V3  2  0.0000  0.9948  0.5000  1.0
  O  O4  4  0.0642  0.4994  0.3715  1.0
  O  O5  4  0.1016  0.0001  0.2943  1.0
  O  O6  4  0.1664  0.8012  0.6674  1.0
  O  O7  4  0.2303  0.9967  0.0381  1.0
  O  O8  2  0.0000  0.6921  0.0000  1.0
  F  F9  4  0.1667  0.1989  0.6651  1.0
  F  F10  2  0.0000  0.2956  0.0000  1.0
]