data_[Nd16Pd4Au4]
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 [I4_1md]
_cell_length_a [9.8090]
_cell_length_b [9.8090]
_cell_length_c [8.7538]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [Nd4PdAu]
_chemical_formula_sum '[Nd16 Pd4 Au4]'
_cell_volume [842.2550]
_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  0.2995  0.5088  1
  Nd  Nd1  8  0.0000  0.3009  0.9914  1
  Pd  Pd2  4  0.0000  0.0000  0.4997  1
  Au  Au3  4  0.0000  0.0000  0.9999  1
]