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 [P-1]
_cell_length_a [5.4801]
_cell_length_b [5.5647]
_cell_length_c [6.0366]
_cell_angle_alpha [90.1559]
_cell_angle_beta [116.6842]
_cell_angle_gamma [91.7910]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiVF4]
_chemical_formula_sum '[Li2 V2 F8]'
_cell_volume [164.3695]
_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  0.0331  0.7532  0.5536  1
  V  V1  1  0.0000  0.0000  0.0000  1
  V  V2  1  0.5000  0.5000  0.0000  1
  F  F3  2  0.1304  0.9654  0.3546  1
  F  F4  2  0.2355  0.2943  0.0608  1
  F  F5  2  0.2668  0.4631  0.6473  1
  F  F6  2  0.2765  0.7932  0.9633  1
]