data_[Li4V4O4F12]
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 [Pnc2]
_cell_length_a [4.9889]
_cell_length_b [5.1673]
_cell_length_c [11.5395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [LiVOF3]
_chemical_formula_sum '[Li4 V4 O4 F12]'
_cell_volume [297.4745]
_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  2  0.5000  0.0000  0.1494  1
  Li  Li1  2  0.5000  0.0000  0.7417  1
  V  V2  2  0.0000  0.0000  0.5720  1
  V  V3  2  0.5000  0.0000  0.4366  1
  O  O4  4  0.3060  0.6973  0.0452  1
  F  F5  4  0.1853  0.2189  0.4471  1
  F  F6  4  0.1883  0.2090  0.6795  1
  F  F7  4  0.3627  0.7061  0.8112  1
]