data_[Li2V2O4F4]
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 [P2_1]
_cell_length_a [6.2425]
_cell_length_b [3.9033]
_cell_length_c [6.5335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LiV(OF)2]
_chemical_formula_sum '[Li2 V2 O4 F4]'
_cell_volume [156.5406]
_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  0.3292  0.9484  0.8426  1.0
  V  V1  2  0.2109  0.6973  0.2948  1.0
  O  O2  2  0.0462  0.1948  0.8179  1.0
  O  O3  2  0.3768  0.6987  0.1189  1.0
  F  F4  2  0.2265  0.1993  0.3385  1.0
  F  F5  2  0.2968  0.7025  0.5845  1.0
]