data_[Li4V2O2F6]
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 [Pc]
_cell_length_a [6.0146]
_cell_length_b [5.0419]
_cell_length_c [5.4726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2VOF3]
_chemical_formula_sum '[Li4 V2 O2 F6]'
_cell_volume [148.3615]
_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  0.4142  0.2673  0.3666  1.0
  Li  Li1  2  0.6885  0.2679  0.9273  1.0
  V  V2  2  0.9912  0.2750  0.5112  1.0
  O  O3  2  0.8677  0.4572  0.7283  1.0
  F  F4  2  0.1139  0.0577  0.2636  1.0
  F  F5  2  0.3574  0.3998  0.6845  1.0
  F  F6  2  0.6516  0.0880  0.2899  1.0
]