data_[Nd16Al4Ir4]
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 [C2/c]
_cell_length_a [9.0131]
_cell_length_b [13.9777]
_cell_length_c [6.1320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd4AlIr]
_chemical_formula_sum '[Nd16 Al4 Ir4]'
_cell_volume [696.9706]
_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  8  0.1181  0.1803  0.5783  1.0
  Nd  Nd1  8  0.2136  0.4313  0.8267  1.0
  Al  Al2  4  0.0000  0.3741  0.2500  1.0
  Ir  Ir3  4  0.0000  0.0004  0.2500  1.0
]