data_[Li2V2O2F6]
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 [5.0967]
_cell_length_b [5.1535]
_cell_length_c [5.9638]
_cell_angle_alpha [107.1202]
_cell_angle_beta [91.9112]
_cell_angle_gamma [99.7092]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiVOF3]
_chemical_formula_sum '[Li2 V2 O2 F6]'
_cell_volume [146.9869]
_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  1  0.3333  0.3787  0.2494  1.0
  Li  Li1  1  0.9913  0.5365  0.8239  1.0
  V  V2  1  0.2823  0.0333  0.6509  1.0
  V  V3  1  0.7553  0.9750  0.3633  1.0
  O  O4  1  0.1153  0.1975  0.4755  1.0
  O  O5  1  0.4368  0.7937  0.3897  1.0
  F  F6  1  0.1841  0.2888  0.9366  1.0
  F  F7  1  0.3262  0.8028  0.8284  1.0
  F  F8  1  0.6456  0.2448  0.6825  1.0
  F  F9  1  0.6513  0.2241  0.2216  1.0
  F  F10  1  0.8563  0.7475  0.0923  1.0
  F  F11  1  0.9221  0.7773  0.5702  1.0
]