data_[Li4V4F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [9.4307]
_cell_length_b [5.4084]
_cell_length_c [9.8663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiVF6]
_chemical_formula_sum '[Li4 V4 F24]'
_cell_volume [503.1699]
_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  0.3237  0.3354  0.6743  1.0
  V  V1  4  0.1474  0.1794  0.3531  1.0
  F  F2  4  0.0177  0.0169  0.4457  1.0
  F  F3  4  0.0263  0.1670  0.2062  1.0
  F  F4  4  0.0789  0.4715  0.4007  1.0
  F  F5  4  0.2339  0.1091  0.8001  1.0
  F  F6  4  0.2678  0.1898  0.5008  1.0
  F  F7  4  0.2754  0.3422  0.2443  1.0
]