data_[Nd4Pd10Pb2]
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 [I4mm]
_cell_length_a [6.4151]
_cell_length_b [6.4151]
_cell_length_c [8.1123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Nd2Pd5Pb]
_chemical_formula_sum '[Nd4 Pd10 Pb2]'
_cell_volume [333.8501]
_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  0.0000  0.5000  0.2565  1.0
  Pd  Pd1  8  0.2156  0.2156  0.5176  1.0
  Pd  Pd2  2  0.0000  0.0000  0.2521  1.0
  Pb  Pb3  2  0.0000  0.0000  0.8864  1.0
]