data_[Cu20Pd8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.8232]
_cell_length_b [16.1307]
_cell_length_c [6.5911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cu5(PdAu)2]
_chemical_formula_sum '[Cu20 Pd8 Au8]'
_cell_volume [512.7974]
_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
[
  Cu  Cu0  8  0.0000  0.1686  0.5427  1.0
  Cu  Cu1  8  0.2500  0.0976  0.2500  1.0
  Cu  Cu2  4  0.2500  0.2500  0.2500  1.0
  Pd  Pd3  8  0.0000  0.0771  0.8859  1.0
  Au  Au4  4  0.0000  0.0000  0.5000  1.0
  Au  Au5  4  0.0000  0.2500  0.8950  1.0
]