data_[Nd8Al16Ir8]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [15.4237]
_cell_length_b [7.0490]
_cell_length_c [5.8983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NdAl2Ir]
_chemical_formula_sum '[Nd8 Al16 Ir8]'
_cell_volume [641.2752]
_cell_formula_units_Z [8]
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  0.1000  0.2500  0.7442  1
  Nd  Nd1  4  0.1372  0.7500  0.5293  1
  Al  Al2  8  0.0463  0.0612  0.2253  1
  Al  Al3  8  0.2090  0.5544  0.0474  1
  Ir  Ir4  4  0.0692  0.7500  0.0048  1
  Ir  Ir5  4  0.1903  0.2500  0.2822  1
]