data_[Li4V4O4F8]
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 [5.3296]
_cell_length_b [6.6116]
_cell_length_c [6.6493]
_cell_angle_alpha [84.6575]
_cell_angle_beta [83.1456]
_cell_angle_gamma [83.8664]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiVOF2]
_chemical_formula_sum '[Li4 V4 O4 F8]'
_cell_volume [230.5297]
_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
[
  Li  Li0  2  0.1785  0.7821  0.6089  1.0
  Li  Li1  2  0.3235  0.3938  0.2183  1.0
  V  V2  2  0.2484  0.2562  0.7406  1.0
  V  V3  2  0.2522  0.9249  0.0827  1.0
  O  O4  2  0.1087  0.9882  0.8076  1.0
  O  O5  2  0.3878  0.1940  0.0121  1.0
  F  F6  2  0.1164  0.6397  0.1424  1.0
  F  F7  2  0.1381  0.2876  0.4628  1.0
  F  F8  2  0.3596  0.5365  0.7144  1.0
  F  F9  2  0.3910  0.8596  0.3652  1.0
]