data_[Li4V8F20]
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 [C2/c]
_cell_length_a [10.7708]
_cell_length_b [5.3090]
_cell_length_c [7.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiV2F5]
_chemical_formula_sum '[Li4 V8 F20]'
_cell_volume [406.1995]
_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  0.0000  0.0000  1.0
  V  V1  8  0.1233  0.4975  0.2145  1.0
  F  F2  8  0.0825  0.3394  0.4445  1.0
  F  F3  8  0.1850  0.1512  0.1499  1.0
  F  F4  4  0.0000  0.2040  0.7500  1.0
]