data_[Nd4Al8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.7519]
_cell_length_b [11.5388]
_cell_length_c [6.6711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [NdAl2In]
_chemical_formula_sum '[Nd4 Al8 In4]'
_cell_volume [365.7821]
_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
[
  Nd  Nd0  4  0.2500  0.3323  0.0060  1
  Al  Al1  4  0.2500  0.0698  0.7833  1
  Al  Al2  4  0.2500  0.3558  0.4872  1
  In  In3  4  0.2500  0.0800  0.2235  1
]