data_[Cu45Pt6Au6]
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 [R-3m]
_cell_length_a [8.3822]
_cell_length_b [8.3822]
_cell_length_c [12.6031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cu15(PtAu)2]
_chemical_formula_sum '[Cu45 Pt6 Au6]'
_cell_volume [766.8750]
_cell_formula_units_Z [3]
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  18  0.0000  0.3027  0.0000  1
  Cu  Cu1  18  0.0088  0.5044  0.1490  1
  Cu  Cu2  9  0.0000  0.5000  0.5000  1
  Pt  Pt3  6  0.0000  0.0000  0.1060  1
  Au  Au4  6  0.0000  0.0000  0.3480  1
]