data_[Nd2Pd12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pd  2.2000  1.4000  0.8462
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [6.8489]
_cell_length_b [6.8489]
_cell_length_c [10.5570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd(Pd3Pb2)2]
_chemical_formula_sum '[Nd2 Pd12 Pb8]'
_cell_volume [495.1943]
_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  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  8  0.1659  0.8341  0.5892  1
  Pd  Pd2  4  0.0000  0.5000  0.0000  1
  Pb  Pb3  8  0.2125  0.7875  0.3190  1
]