data_[V6O6F6]
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 [P2_1]
_cell_length_a [4.7123]
_cell_length_b [4.7203]
_cell_length_c [9.3896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1353]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [VOF]
_chemical_formula_sum '[V6 O6 F6]'
_cell_volume [208.8551]
_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  2  0.2204  0.9636  0.0832  1.0
  V  V1  2  0.2782  0.0217  0.7512  1.0
  V  V2  2  0.2879  0.0126  0.4162  1.0
  O  O3  2  0.0666  0.1727  0.9170  1.0
  O  O4  2  0.4349  0.8100  0.2474  1.0
  O  O5  2  0.4456  0.8180  0.5850  1.0
  F  F6  2  0.0380  0.1977  0.2509  1.0
  F  F7  2  0.0556  0.2196  0.5827  1.0
  F  F8  2  0.4590  0.7842  0.9169  1.0
]