data_[Cu10Pd2Au12]
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 [Cmmm]
_cell_length_a [4.0501]
_cell_length_b [12.2823]
_cell_length_c [7.4104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Cu5PdAu6]
_chemical_formula_sum '[Cu10 Pd2 Au12]'
_cell_volume [368.6226]
_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  0.0000  0.3321  0.5000  1.0
  Cu  Cu1  4  0.0000  0.3356  0.0000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  8  0.0000  0.1688  0.2530  1.0
  Au  Au5  4  0.0000  0.5000  0.2626  1.0
]