data_[Li3V1O3F2]
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 [3.9038]
_cell_length_b [5.1913]
_cell_length_c [6.0439]
_cell_angle_alpha [66.9738]
_cell_angle_beta [89.4729]
_cell_angle_gamma [67.9492]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li3VO3F2]
_chemical_formula_sum '[Li3 V1 O3 F2]'
_cell_volume [103.1085]
_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  0.2583  0.4803  0.6464  1
  Li  Li1  1  0.3177  0.3594  0.1032  1
  Li  Li2  1  0.7462  0.5081  0.3241  1
  V  V3  1  0.0520  0.9847  0.0216  1
  O  O4  1  0.1844  0.6331  0.2792  1
  O  O5  1  0.4781  0.0165  0.9789  1
  O  O6  1  0.8723  0.2392  0.1511  1
  F  F7  1  0.1217  0.7325  0.8200  1
  F  F8  1  0.8230  0.3388  0.6692  1
]