data_[Nd4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.3497]
_cell_length_b [8.3497]
_cell_length_c [4.5364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Nd2Pb3]
_chemical_formula_sum '[Nd4 Pb6]'
_cell_volume [316.2662]
_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  0.1752  0.6752  0.5000  1
  Pb  Pb1  4  0.1288  0.3712  0.0000  1
  Pb  Pb2  2  0.0000  0.0000  0.0000  1
]