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/m]
_cell_length_a [4.7545]
_cell_length_b [3.1014]
_cell_length_c [14.2065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [VOF]
_chemical_formula_sum '[V6 O6 F6]'
_cell_volume [209.3879]
_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  0.0248  0.0000  0.3331  1.0
  V  V1  2  0.4303  0.5000  0.8332  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  V  V3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.1852  0.5000  0.9353  1.0
  O  O5  2  0.2654  0.0000  0.7651  1.0
  O  O6  2  0.3112  0.0000  0.4327  1.0
  F  F7  2  0.1790  0.5000  0.6011  1.0
  F  F8  2  0.2263  0.5000  0.2657  1.0
  F  F9  2  0.3208  0.0000  0.1052  1.0
]