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/m]
_cell_length_a [6.2952]
_cell_length_b [3.5402]
_cell_length_c [6.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiV(OF)2]
_chemical_formula_sum '[Li2 V2 O4 F4]'
_cell_volume [139.7109]
_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  0.3297  0.2500  0.7975  1.0
  V  V1  2  0.1481  0.2500  0.2290  1.0
  O  O2  2  0.0951  0.7500  0.1495  1.0
  O  O3  2  0.3008  0.2500  0.4816  1.0
  F  F4  2  0.1460  0.7500  0.7476  1.0
  F  F5  2  0.3886  0.2500  0.1143  1.0
]