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 [Cm]
_cell_length_a [8.8892]
_cell_length_b [6.3801]
_cell_length_c [7.2230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V6O11F]
_chemical_formula_sum '[V12 O22 F2]'
_cell_volume [379.8349]
_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  0.0046  0.0000  0.4920  1.0
  V  V1  2  0.0059  0.0000  0.0156  1.0
  V  V2  2  0.1508  0.5000  0.6691  1.0
  V  V3  2  0.1746  0.5000  0.1641  1.0
  V  V4  2  0.3305  0.0000  0.8387  1.0
  V  V5  2  0.3400  0.0000  0.3317  1.0
  O  O6  4  0.1716  0.2062  0.6717  1.0
  O  O7  4  0.3281  0.3054  0.3310  1.0
  O  O8  4  0.4996  0.2040  0.9949  1.0
  O  O9  2  0.0552  0.5000  0.3611  1.0
  O  O10  2  0.1090  0.0000  0.2972  1.0
  O  O11  2  0.2370  0.0000  0.0336  1.0
  O  O12  2  0.2665  0.5000  0.9665  1.0
  O  O13  2  0.4281  0.0000  0.6322  1.0
  F  F14  2  0.3995  0.5000  0.7031  1.0
]