data_[Cu10Pd10Au4]
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 [11.4848]
_cell_length_b [3.8429]
_cell_length_c [8.8310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu5Pd5Au2]
_chemical_formula_sum '[Cu10 Pd10 Au4]'
_cell_volume [349.2551]
_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  0.1699  0.0000  0.4974  1.0
  Cu  Cu1  4  0.2484  0.0000  0.2531  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0945  0.5000  0.2582  1.0
  Pd  Pd4  4  0.1622  0.5000  0.0005  1.0
  Pd  Pd5  2  0.0000  0.5000  0.5000  1.0
  Au  Au6  4  0.0858  0.0000  0.7473  1.0
]