data_[Cu18Ge3Au36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.4373]
_cell_length_b [12.4373]
_cell_length_c [6.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cu6GeAu12]
_chemical_formula_sum '[Cu18 Ge3 Au36]'
_cell_volume [933.8595]
_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  0.0324  0.7500  0.3294  1
  Ge  Ge1  3  0.0000  0.0000  0.0000  1
  Au  Au2  18  0.0038  0.8647  0.6617  1
  Au  Au3  18  0.0628  0.5046  0.6713  1
]