data_[Li8V4F20]
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 [Pnma]
_cell_length_a [7.4904]
_cell_length_b [5.5141]
_cell_length_c [9.6535]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li2VF5]
_chemical_formula_sum '[Li8 V4 F20]'
_cell_volume [398.7158]
_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  0.0689  0.2500  0.7167  1
  Li  Li1  4  0.0837  0.2500  0.4295  1
  V  V2  4  0.1826  0.2500  0.0475  1
  F  F3  8  0.1348  0.0043  0.5827  1
  F  F4  4  0.0000  0.0000  0.0000  1
  F  F5  4  0.1129  0.2500  0.2383  1
  F  F6  4  0.2393  0.7500  0.3524  1
]