data_[Nd36Ag18Ir3]
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 [R-3]
_cell_length_a [12.1198]
_cell_length_b [12.1198]
_cell_length_c [13.6470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Nd12Ag6Ir]
_chemical_formula_sum '[Nd36 Ag18 Ir3]'
_cell_volume [1736.0365]
_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  0.0319  0.1922  0.8709  1
  Nd  Nd1  18  0.0468  0.8504  0.3921  1
  Ag  Ag2  18  0.0005  0.4012  0.7372  1
  Ir  Ir3  3  0.0000  0.0000  0.0000  1
]