data_[Li1V3O4F2]
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 [P1]
_cell_length_a [5.1616]
_cell_length_b [5.1793]
_cell_length_c [5.5195]
_cell_angle_alpha [116.0391]
_cell_angle_beta [92.0476]
_cell_angle_gamma [118.9057]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV3(O2F)2]
_chemical_formula_sum '[Li1 V3 O4 F2]'
_cell_volume [110.1453]
_cell_formula_units_Z [1]
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  1  0.1076  0.2300  0.4022  1.0
  V  V1  1  0.3533  0.6785  0.0103  1.0
  V  V2  1  0.6547  0.3131  0.9391  1.0
  V  V3  1  0.8621  0.7412  0.5793  1.0
  O  O4  1  0.2468  0.1937  0.7483  1.0
  O  O5  1  0.5920  0.8585  0.7946  1.0
  O  O6  1  0.7140  0.7545  0.2477  1.0
  O  O7  1  0.9449  0.5282  0.7662  1.0
  F  F8  1  0.0736  0.5152  0.2534  1.0
  F  F9  1  0.4511  0.1871  0.2590  1.0
]