data_[Nd12Ir4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.9492]
_cell_length_b [4.5160]
_cell_length_c [12.1366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Nd3IrPb2]
_chemical_formula_sum '[Nd12 Ir4 Pb8]'
_cell_volume [709.7236]
_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  4  0.0544  0.2500  0.3683  1
  Nd  Nd1  4  0.1181  0.7500  0.9584  1
  Nd  Nd2  4  0.2451  0.2500  0.7082  1
  Ir  Ir3  4  0.1262  0.2500  0.1311  1
  Pb  Pb4  4  0.0063  0.2500  0.8053  1
  Pb  Pb5  4  0.1868  0.7500  0.5007  1
]