data_[Nd20Pb4Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.3832]
_cell_length_b [8.3832]
_cell_length_c [13.5948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5PbAu2]
_chemical_formula_sum '[Nd20 Pb4 Au8]'
_cell_volume [955.4061]
_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  16  0.1558  0.3442  0.1434  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Pb  Pb2  4  0.0000  0.0000  0.2500  1
  Au  Au3  8  0.1350  0.6350  0.0000  1
]