data_[Nd6Pd8Pb4]
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 [10.0010]
_cell_length_b [4.4905]
_cell_length_c [9.6837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3(Pd2Pb)2]
_chemical_formula_sum '[Nd6 Pd8 Pb4]'
_cell_volume [434.8750]
_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  0.1353  0.5000  0.6184  1.0
  Nd  Nd1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.0729  0.0000  0.3835  1.0
  Pd  Pd3  4  0.2020  0.5000  0.9177  1.0
  Pb  Pb4  4  0.1578  0.5000  0.2151  1.0
]