data_[Cu4Pd12Au2]
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 [P4_2/mnm]
_cell_length_a [8.3292]
_cell_length_b [8.3292]
_cell_length_c [3.8549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Cu2Pd6Au]
_chemical_formula_sum '[Cu4 Pd12 Au2]'
_cell_volume [267.4352]
_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  0.1655  0.8345  0.5000  1.0
  Pd  Pd1  8  0.0044  0.3326  0.0000  1.0
  Pd  Pd2  4  0.1721  0.1721  0.5000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
]