data_[Cu2Au13]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0740]
_cell_length_b [7.1334]
_cell_length_c [7.6951]
_cell_angle_alpha [70.5092]
_cell_angle_beta [83.6260]
_cell_angle_gamma [89.1904]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Cu2Au13]
_chemical_formula_sum '[Cu2 Au13]'
_cell_volume [260.8621]
_cell_formula_units_Z [1]
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  2  0.1318  0.2670  0.2011  1.0
  Au  Au1  2  0.0686  0.1306  0.5971  1.0
  Au  Au2  2  0.1937  0.3999  0.8079  1.0
  Au  Au3  2  0.2661  0.5292  0.3972  1.0
  Au  Au4  2  0.3319  0.6632  0.9981  1.0
  Au  Au5  2  0.3982  0.7961  0.6061  1.0
  Au  Au6  2  0.4572  0.9396  0.2008  1.0
  Au  Au7  1  0.0000  0.0000  0.0000  1.0
]