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 [Cm]
_cell_length_a [10.3672]
_cell_length_b [6.0209]
_cell_length_c [6.0179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4001]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiV2O3F]
_chemical_formula_sum '[Li4 V8 O12 F4]'
_cell_volume [309.9413]
_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  0.1370  0.0000  0.3999  1.0
  Li  Li1  2  0.4910  0.0000  0.9779  1.0
  V  V2  4  0.2419  0.2411  0.9929  1.0
  V  V3  2  0.3700  0.5000  0.6110  1.0
  V  V4  2  0.4936  0.0000  0.5063  1.0
  O  O5  4  0.0059  0.2593  0.7501  1.0
  O  O6  2  0.2340  0.5000  0.7443  1.0
  O  O7  2  0.2509  0.5000  0.2207  1.0
  O  O8  2  0.2560  0.0000  0.7911  1.0
  O  O9  2  0.2641  0.0000  0.2521  1.0
  F  F10  4  0.4918  0.2367  0.2492  1.0
]