data_[Cu4Pt2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1618]
_cell_length_b [4.0977]
_cell_length_c [8.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2PtAu6]
_chemical_formula_sum '[Cu4 Pt2 Au12]'
_cell_volume [298.1298]
_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  0.1587  0.5000  0.0563  1.0
  Pt  Pt1  2  0.0000  0.0000  0.5000  1.0
  Au  Au2  4  0.0198  0.0000  0.8475  1.0
  Au  Au3  4  0.1616  0.5000  0.3834  1.0
  Au  Au4  4  0.1806  0.5000  0.7389  1.0
]