data_[Nd64Ag16Ir16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [13.9790]
_cell_length_b [13.9790]
_cell_length_c [13.9790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Nd4AgIr]
_chemical_formula_sum '[Nd64 Ag16 Ir16]'
_cell_volume [2731.6622]
_cell_formula_units_Z [16]
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  24  0.0000  0.0000  0.1905  1
  Nd  Nd1  24  0.0618  0.2500  0.2500  1
  Nd  Nd2  16  0.1495  0.1495  0.6495  1
  Ag  Ag3  16  0.0810  0.0810  0.4190  1
  Ir  Ir4  16  0.1420  0.1420  0.8580  1
]