data_[Li4Nd6Al18]
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 [Immm]
_cell_length_a [4.4339]
_cell_length_b [9.9404]
_cell_length_c [12.9733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(NdAl3)3]
_chemical_formula_sum '[Li4 Nd6 Al18]'
_cell_volume [571.7991]
_cell_formula_units_Z [2]
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  0.1997  0.5000  1.0
  Nd  Nd1  4  0.0000  0.0000  0.3085  1.0
  Nd  Nd2  2  0.0000  0.0000  0.0000  1.0
  Al  Al3  8  0.0000  0.2769  0.1356  1.0
  Al  Al4  8  0.0000  0.3661  0.3409  1.0
  Al  Al5  2  0.0000  0.5000  0.0000  1.0
]