data_[Li9V6O12F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [5.1318]
_cell_length_b [5.1373]
_cell_length_c [15.1215]
_cell_angle_alpha [80.5390]
_cell_angle_beta [81.1053]
_cell_angle_gamma [60.4396]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3V2(O2F)2]
_chemical_formula_sum '[Li9 V6 O12 F6]'
_cell_volume [340.7917]
_cell_formula_units_Z [3]
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
[
  Li  Li0  2  0.1232  0.9521  0.6406  1
  Li  Li1  2  0.1579  0.6575  0.4998  1
  Li  Li2  2  0.3343  0.8338  0.0001  1
  Li  Li3  2  0.4566  0.2873  0.6404  1
  Li  Li4  1  0.5000  0.0000  0.5000  1
  V  V5  2  0.0516  0.2287  0.8328  1
  V  V6  2  0.2737  0.1164  0.1673  1
  V  V7  2  0.3890  0.5563  0.8313  1
  O  O8  2  0.0381  0.8721  0.9058  1
  O  O9  2  0.0973  0.5787  0.7641  1
  O  O10  2  0.2640  0.7567  0.2349  1
  O  O11  2  0.3243  0.4658  0.0935  1
  O  O12  2  0.3790  0.1902  0.9055  1
  O  O13  2  0.4018  0.9144  0.7653  1
  F  F14  2  0.1631  0.2862  0.5768  1
  F  F15  2  0.1938  0.0024  0.4203  1
  F  F16  2  0.4502  0.6417  0.5792  1
]