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 [Cmc2_1]
_cell_length_a [5.3563]
_cell_length_b [9.3075]
_cell_length_c [8.9411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiVF6]
_chemical_formula_sum '[Li4 V4 F24]'
_cell_volume [445.7526]
_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  0.0697  0.2094  1.0
  V  V1  4  0.0000  0.3970  0.9930  1.0
  F  F2  8  0.2412  0.3590  0.8533  1.0
  F  F3  8  0.2453  0.4275  0.1317  1.0
  F  F4  4  0.0000  0.2088  0.0479  1.0
  F  F5  4  0.0000  0.4178  0.4469  1.0
]