data_[V12O22F2]
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 [8.8502]
_cell_length_b [6.5147]
_cell_length_c [7.0964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [V6O11F]
_chemical_formula_sum '[V12 O22 F2]'
_cell_volume [379.7101]
_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  4  0.1684  0.1567  0.1720  1.0
  V  V1  4  0.1733  0.1560  0.6769  1.0
  V  V2  2  0.0000  0.6610  0.0000  1.0
  V  V3  2  0.0000  0.6876  0.5000  1.0
  O  O4  4  0.0652  0.1710  0.8660  1.0
  O  O5  4  0.0953  0.6634  0.7803  1.0
  O  O6  4  0.1664  0.8688  0.1628  1.0
  O  O7  4  0.1712  0.4634  0.1648  1.0
  O  O8  4  0.2346  0.6733  0.5273  1.0
  O  O9  2  0.0000  0.9806  0.5000  1.0
  F  F10  2  0.0000  0.3656  0.5000  1.0
]