data_[Nd8Ir2Pb4]
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 [C2/m]
_cell_length_a [11.8793]
_cell_length_b [4.6901]
_cell_length_c [9.0075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0928]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4IrPb2]
_chemical_formula_sum '[Nd8 Ir2 Pb4]'
_cell_volume [429.7530]
_cell_formula_units_Z [2]
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  0.0701  0.0000  0.3490  1
  Nd  Nd1  4  0.1679  0.5000  0.0589  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.1486  0.5000  0.6596  1
]