data_[Li8V8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1314]
_cell_length_b [9.2217]
_cell_length_c [5.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiVF3]
_chemical_formula_sum '[Li8 V8 F24]'
_cell_volume [536.1139]
_cell_formula_units_Z [8]
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  8  0.1973  0.4273  0.6654  1.0
  V  V1  4  0.0000  0.0955  0.7500  1.0
  V  V2  4  0.0000  0.2699  0.2500  1.0
  F  F3  8  0.1020  0.2540  0.6532  1.0
  F  F4  8  0.1052  0.0827  0.1678  1.0
  F  F5  8  0.1466  0.4237  0.3092  1.0
]