data_[Cu12Rh2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Rh  2.2800  1.3500  0.7450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [2.7040]
_cell_length_b [7.6268]
_cell_length_c [12.1395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cu6RhAu2]
_chemical_formula_sum '[Cu12 Rh2 Au4]'
_cell_volume [250.3515]
_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  0.1792  0.1788  1
  Cu  Cu1  4  0.0000  0.2033  0.4870  1
  Cu  Cu2  4  0.5000  0.1577  0.8327  1
  Rh  Rh3  2  0.5000  0.0000  0.0261  1
  Au  Au4  2  0.5000  0.0000  0.3396  1
  Au  Au5  2  0.5000  0.0000  0.6374  1
]