data_[Nd24Sm3Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.5155]
_cell_length_b [8.5155]
_cell_length_c [18.6936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd8SmIr6]
_chemical_formula_sum '[Nd24 Sm3 Ir18]'
_cell_volume [1173.9453]
_cell_formula_units_Z [3]
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  18  0.0008  0.3322  0.1120  1
  Nd  Nd1  6  0.0000  0.0000  0.3330  1
  Sm  Sm2  3  0.0000  0.0000  0.0000  1
  Ir  Ir3  18  0.0003  0.3323  0.9426  1
]