data_[Cu4Pd8Au8]
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 [C2/m]
_cell_length_a [8.9437]
_cell_length_b [3.9277]
_cell_length_c [9.0168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2493]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu(PdAu)2]
_chemical_formula_sum '[Cu4 Pd8 Au8]'
_cell_volume [316.7444]
_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  4  0.2485  0.0000  0.7464  1.0
  Pd  Pd1  4  0.0521  0.5000  0.8458  1.0
  Pd  Pd2  4  0.1527  0.5000  0.5512  1.0
  Au  Au3  4  0.0516  0.0000  0.3494  1.0
  Au  Au4  4  0.1514  0.0000  0.0525  1.0
]