data_[V6O7F5]
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 [P1]
_cell_length_a [4.7354]
_cell_length_b [5.6407]
_cell_length_c [7.7589]
_cell_angle_alpha [85.3320]
_cell_angle_beta [87.2609]
_cell_angle_gamma [86.3139]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V6O7F5]
_chemical_formula_sum '[V6 O7 F5]'
_cell_volume [205.9422]
_cell_formula_units_Z [1]
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  1  0.0031  0.3326  0.6703  1.0
  V  V1  1  0.4959  0.8309  0.6651  1.0
  V  V2  1  0.4987  0.1647  0.3325  1.0
  V  V3  1  0.5377  0.5255  0.0126  1.0
  V  V4  1  0.9900  0.6643  0.3255  1.0
  V  V5  1  0.9935  0.9934  0.9998  1.0
  O  O6  1  0.2976  0.1336  0.5665  1.0
  O  O7  1  0.3023  0.7940  0.9008  1.0
  O  O8  1  0.3046  0.4667  0.2292  1.0
  O  O9  1  0.6941  0.5309  0.7704  1.0
  O  O10  1  0.6972  0.2069  0.0978  1.0
  O  O11  1  0.6987  0.8646  0.4333  1.0
  O  O12  1  0.7962  0.7029  0.0984  1.0
  F  F13  1  0.1924  0.6307  0.5625  1.0
  F  F14  1  0.1937  0.9647  0.2313  1.0
  F  F15  1  0.1984  0.2949  0.9015  1.0
  F  F16  1  0.8026  0.3661  0.4363  1.0
  F  F17  1  0.8034  0.0325  0.7661  1.0
]