data_[Cu3Pd2Au8]
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 [P2/m]
_cell_length_a [8.1832]
_cell_length_b [4.0277]
_cell_length_c [8.2706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cu3(PdAu4)2]
_chemical_formula_sum '[Cu3 Pd2 Au8]'
_cell_volume [238.1450]
_cell_formula_units_Z [1]
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  2  0.2378  0.0000  0.9977  1
  Cu  Cu1  1  0.0000  0.5000  0.0000  1
  Pd  Pd2  2  0.2572  0.5000  0.5080  1
  Au  Au3  2  0.1270  0.0000  0.2529  1
  Au  Au4  2  0.1281  0.5000  0.7538  1
  Au  Au5  2  0.3722  0.5000  0.2386  1
  Au  Au6  2  0.3902  0.0000  0.7795  1
]