data_[Li2Nd1V1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6327]
_cell_length_b [4.8546]
_cell_length_c [6.9987]
_cell_angle_alpha [87.4957]
_cell_angle_beta [89.1655]
_cell_angle_gamma [86.5530]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2NdVF8]
_chemical_formula_sum '[Li2 Nd1 V1 F8]'
_cell_volume [156.9528]
_cell_formula_units_Z [1]
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  2  0.4677  0.4661  0.2111  1.0
  Nd  Nd1  1  0.0000  0.0000  0.5000  1.0
  V  V2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1840  0.7821  0.2238  1.0
  F  F4  2  0.1898  0.7925  0.7863  1.0
  F  F5  2  0.2948  0.2680  0.9958  1.0
  F  F6  2  0.3533  0.2906  0.4582  1.0
]