data_[Li2V2F8]
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 [P2_1]
_cell_length_a [5.5353]
_cell_length_b [5.2919]
_cell_length_c [5.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiVF4]
_chemical_formula_sum '[Li2 V2 F8]'
_cell_volume [155.7874]
_cell_formula_units_Z [2]
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  0.2145  0.6782  0.9741  1.0
  V  V1  2  0.2551  0.0004  0.5043  1.0
  F  F2  2  0.0835  0.9120  0.1487  1.0
  F  F3  2  0.0929  0.7045  0.5937  1.0
  F  F4  2  0.4107  0.3021  0.4337  1.0
  F  F5  2  0.4156  0.0815  0.8529  1.0
]