data_[Nd8Pd16Au20]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.5038]
_cell_length_b [9.1475]
_cell_length_c [18.4267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2Pd4Au5]
_chemical_formula_sum '[Nd8 Pd16 Au20]'
_cell_volume [927.7130]
_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  8  0.0000  0.0000  0.1346  1.0
  Pd  Pd1  16  0.0000  0.1619  0.3723  1.0
  Au  Au2  8  0.2500  0.2500  0.0000  1.0
  Au  Au3  8  0.2500  0.2500  0.2500  1.0
  Au  Au4  4  0.0000  0.0000  0.5000  1.0
]