data_[Cu4Pd8Au12]
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 [4.9846]
_cell_length_b [8.6551]
_cell_length_c [9.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuPd2Au3]
_chemical_formula_sum '[Cu4 Pd8 Au12]'
_cell_volume [391.7293]
_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  0.0000  0.3325  0.0000  1.0
  Pd  Pd1  4  0.0000  0.1658  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  2  0.0000  0.5000  0.5000  1.0
  Au  Au4  8  0.2497  0.1688  0.2437  1.0
  Au  Au5  4  0.2431  0.5000  0.2426  1.0
]