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 [P-1]
_cell_length_a [4.6647]
_cell_length_b [5.6667]
_cell_length_c [7.8787]
_cell_angle_alpha [85.9637]
_cell_angle_beta [88.7920]
_cell_angle_gamma [88.5591]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VOF]
_chemical_formula_sum '[V6 O6 F6]'
_cell_volume [207.6406]
_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  0.0151  0.3403  0.6852  1.0
  V  V1  2  0.4800  0.1683  0.3512  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  V  V3  1  0.5000  0.5000  0.0000  1.0
  O  O4  2  0.1918  0.2898  0.9084  1.0
  O  O5  2  0.2920  0.1250  0.5737  1.0
  O  O6  2  0.3114  0.4614  0.2347  1.0
  F  F7  2  0.1980  0.6331  0.5571  1.0
  F  F8  2  0.2059  0.9617  0.2281  1.0
  F  F9  2  0.2973  0.8027  0.8877  1.0
]