data_[Cu4Pd4Au6]
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 [8.8287]
_cell_length_b [3.9791]
_cell_length_c [6.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2Pd2Au3]
_chemical_formula_sum '[Cu4 Pd4 Au6]'
_cell_volume [219.8902]
_cell_formula_units_Z [2]
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  0.2149  0.0000  0.1391  1
  Pd  Pd1  4  0.0777  0.0000  0.7286  1
  Au  Au2  4  0.1428  0.5000  0.4288  1
  Au  Au3  2  0.0000  0.5000  0.0000  1
]