data_[Nd8Pd4Pb8]
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 [C2/m]
_cell_length_a [11.5488]
_cell_length_b [4.6493]
_cell_length_c [11.5010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2PdPb2]
_chemical_formula_sum '[Nd8 Pd4 Pb8]'
_cell_volume [554.2683]
_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  0.0043  0.0000  0.3304  1
  Nd  Nd1  4  0.1815  0.0000  0.1204  1
  Pd  Pd2  4  0.2103  0.5000  0.3265  1
  Pb  Pb3  4  0.0398  0.5000  0.8855  1
  Pb  Pb4  4  0.1540  0.5000  0.5576  1
]