data_[Li4V8F28]
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 [7.3783]
_cell_length_b [6.4927]
_cell_length_c [10.6493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [LiV2F7]
_chemical_formula_sum '[Li4 V8 F28]'
_cell_volume [502.7456]
_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  0.4526  0.1897  0.5160  1.0
  V  V1  4  0.2258  0.4913  0.7520  1.0
  V  V2  4  0.2747  0.0030  0.2506  1.0
  F  F3  4  0.0269  0.4634  0.8645  1.0
  F  F4  4  0.1848  0.2462  0.1330  1.0
  F  F5  4  0.2551  0.2518  0.6317  1.0
  F  F6  4  0.2588  0.2524  0.3686  1.0
  F  F7  4  0.3033  0.2484  0.8649  1.0
  F  F8  4  0.4727  0.0385  0.1398  1.0
  F  F9  4  0.4993  0.4640  0.2497  1.0
]