data_[Nd20Al8In8]
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 [Cmce]
_cell_length_a [16.8002]
_cell_length_b [8.5058]
_cell_length_c [7.6420]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Nd5(AlIn)2]
_chemical_formula_sum '[Nd20 Al8 In8]'
_cell_volume [1092.0320]
_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  16  0.1352  0.1922  0.6777  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Al  Al2  8  0.0000  0.1181  0.3910  1.0
  In  In3  8  0.2192  0.0000  0.0000  1.0
]