data_[Li3Nd9Al24]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6403]
_cell_length_b [5.6403]
_cell_length_c [27.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiNd3Al8]
_chemical_formula_sum '[Li3 Nd9 Al24]'
_cell_volume [756.7749]
_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  0.8735  1.0
  Nd  Nd1  3  0.0000  0.0000  0.3745  1.0
  Nd  Nd2  3  0.0000  0.0000  0.5036  1.0
  Nd  Nd3  3  0.0000  0.0000  0.9950  1.0
  Al  Al4  9  0.0018  0.5009  0.9380  1.0
  Al  Al5  9  0.1670  0.3341  0.7713  1.0
  Al  Al6  3  0.0000  0.0000  0.1878  1.0
  Al  Al7  3  0.0000  0.0000  0.6877  1.0
]