data_[Li8V4F24]
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 [Cmc2_1]
_cell_length_a [5.5083]
_cell_length_b [9.2456]
_cell_length_c [8.4955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li2VF6]
_chemical_formula_sum '[Li8 V4 F24]'
_cell_volume [432.6575]
_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  0.0000  0.2264  0.5696  1.0
  Li  Li1  4  0.0000  0.4568  0.0219  1.0
  V  V2  4  0.0000  0.1206  0.2361  1.0
  F  F3  8  0.2301  0.1333  0.4023  1.0
  F  F4  8  0.2385  0.3857  0.5871  1.0
  F  F5  4  0.0000  0.0772  0.7346  1.0
  F  F6  4  0.0000  0.3182  0.2069  1.0
]