data_[Nd16Al4Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5348]
_cell_length_b [5.0209]
_cell_length_c [8.1633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Al2Pb]
_chemical_formula_sum '[Nd16 Al4 Pb2]'
_cell_volume [671.8713]
_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  0.0491  0.0000  0.7348  1.0
  Nd  Nd1  4  0.1044  0.5000  0.4560  1.0
  Nd  Nd2  4  0.1626  0.0000  0.2400  1.0
  Nd  Nd3  4  0.1765  0.5000  0.9365  1.0
  Al  Al4  4  0.2160  0.0000  0.6645  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]