data_[V8O12F4]
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 [5.5602]
_cell_length_b [5.6156]
_cell_length_c [9.8406]
_cell_angle_alpha [101.6822]
_cell_angle_beta [96.4930]
_cell_angle_gamma [115.0736]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V2O3F]
_chemical_formula_sum '[V8 O12 F4]'
_cell_volume [265.5971]
_cell_formula_units_Z [4]
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  0.1270  0.1440  0.7494  1
  V  V1  2  0.2375  0.6861  0.0253  1
  V  V2  2  0.3893  0.3731  0.2506  1
  V  V3  1  0.0000  0.5000  0.5000  1
  V  V4  1  0.5000  0.0000  0.5000  1
  O  O5  2  0.0195  0.7140  0.5954  1
  O  O6  2  0.1736  0.3558  0.1559  1
  O  O7  2  0.2381  0.5507  0.9049  1
  O  O8  2  0.2608  0.9474  0.0962  1
  O  O9  2  0.4240  0.6242  0.6506  1
  O  O10  2  0.4754  0.7831  0.4040  1
  F  F11  2  0.0739  0.8653  0.3530  1
  F  F12  2  0.3216  0.1256  0.8513  1
]