data_[Li4V8O12F4]
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 [Pna2_1]
_cell_length_a [10.2456]
_cell_length_b [4.9473]
_cell_length_c [5.9081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [LiV2O3F]
_chemical_formula_sum '[Li4 V8 O12 F4]'
_cell_volume [299.4657]
_cell_formula_units_Z [4]
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  4  0.0911  0.5418  0.2548  1
  V  V1  4  0.0119  0.9813  0.5065  1
  V  V2  4  0.2280  0.4869  0.7374  1
  O  O3  4  0.0725  0.2456  0.7520  1
  O  O4  4  0.0969  0.1721  0.2539  1
  O  O5  4  0.1729  0.7421  0.4959  1
  F  F6  4  0.1616  0.7421  0.9991  1
]