data_[Cu12Pd24Au4]
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 [Cmc2_1]
_cell_length_a [7.5691]
_cell_length_b [16.0689]
_cell_length_c [4.9936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cu3Pd6Au]
_chemical_formula_sum '[Cu12 Pd24 Au4]'
_cell_volume [607.3527]
_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  0.1814  0.1167  0.0080  1.0
  Cu  Cu1  4  0.0000  0.4218  0.6203  1.0
  Pd  Pd2  8  0.1792  0.2779  0.8206  1.0
  Pd  Pd3  8  0.1867  0.4455  0.0523  1.0
  Pd  Pd4  4  0.0000  0.0036  0.2790  1.0
  Pd  Pd5  4  0.0000  0.3073  0.2911  1.0
  Au  Au6  4  0.0000  0.1540  0.5332  1.0
]