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 [C2]
_cell_length_a [13.2375]
_cell_length_b [4.7128]
_cell_length_c [4.7120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [LiVOF3]
_chemical_formula_sum '[Li4 V4 O4 F12]'
_cell_volume [275.4257]
_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  0.0000  0.2545  0.5000  1.0
  Li  Li1  2  0.0000  0.7508  0.0000  1.0
  V  V2  4  0.1922  0.2250  0.2173  1.0
  O  O3  4  0.2002  0.9709  0.4785  1.0
  F  F4  4  0.0798  0.4568  0.2824  1.0
  F  F5  4  0.0800  0.0501  0.8729  1.0
  F  F6  4  0.1987  0.5323  0.9230  1.0
]