data_[Li9Nd3Ni24]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.8041]
_cell_length_b [4.8041]
_cell_length_c [23.5713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3NdNi8]
_chemical_formula_sum '[Li9 Nd3 Ni24]'
_cell_volume [471.1279]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0066  1.0
  Li  Li1  3  0.0000  0.0000  0.3741  1.0
  Li  Li2  3  0.0000  0.0000  0.4869  1.0
  Nd  Nd3  3  0.0000  0.0000  0.8756  1.0
  Ni  Ni4  9  0.0023  0.5012  0.9416  1.0
  Ni  Ni5  9  0.1681  0.3362  0.7687  1.0
  Ni  Ni6  3  0.0000  0.0000  0.1871  1.0
  Ni  Ni7  3  0.0000  0.0000  0.6886  1.0
]