data_[Cu29Ag11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3727]
_cell_length_b [9.1725]
_cell_length_c [11.3205]
_cell_angle_alpha [73.4381]
_cell_angle_beta [89.6930]
_cell_angle_gamma [89.8427]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu29Ag11]
_chemical_formula_sum '[Cu29 Ag11]'
_cell_volume [534.7388]
_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  1  0.0000  0.6165  0.1887  1
  Cu  Cu1  1  0.0044  0.7118  0.3840  1
  Cu  Cu2  1  0.0054  0.1859  0.4134  1
  Cu  Cu3  1  0.0060  0.8929  0.8054  1
  Cu  Cu4  1  0.0087  0.2905  0.5963  1
  Cu  Cu5  1  0.2516  0.1419  0.7985  1
  Cu  Cu6  1  0.2532  0.4578  0.3932  1
  Cu  Cu7  1  0.2541  0.6581  0.8063  1
  Cu  Cu8  1  0.2555  0.0507  0.6091  1
  Cu  Cu9  1  0.2578  0.7462  0.9995  1
  Cu  Cu10  1  0.2591  0.9391  0.4017  1
  Cu  Cu11  1  0.2597  0.2432  0.0070  1
  Cu  Cu12  1  0.2613  0.8442  0.2000  1
  Cu  Cu13  1  0.4916  0.2936  0.5970  1
  Cu  Cu14  1  0.4931  0.8943  0.8031  1
  Cu  Cu15  1  0.4972  0.7075  0.3889  1
  Cu  Cu16  1  0.4974  0.0877  0.1979  1
  Cu  Cu17  1  0.4990  0.9941  0.0041  1
  Cu  Cu18  1  0.4995  0.8108  0.6038  1
  Cu  Cu19  1  0.5011  0.6099  0.1924  1
  Cu  Cu20  1  0.5051  0.5093  0.9993  1
  Cu  Cu21  1  0.7393  0.8436  0.2004  1
  Cu  Cu22  1  0.7397  0.9359  0.4031  1
  Cu  Cu23  1  0.7408  0.2497  0.0120  1
  Cu  Cu24  1  0.7426  0.7500  0.9983  1
  Cu  Cu25  1  0.7450  0.6608  0.8057  1
  Cu  Cu26  1  0.7456  0.0498  0.6015  1
  Cu  Cu27  1  0.7459  0.3605  0.1892  1
  Cu  Cu28  1  0.9931  0.5122  0.9985  1
  Ag  Ag29  1  0.0010  0.3990  0.8102  1
  Ag  Ag30  1  0.0021  0.8111  0.6017  1
  Ag  Ag31  1  0.0047  0.9938  0.0041  1
  Ag  Ag32  1  0.2446  0.3604  0.1959  1
  Ag  Ag33  1  0.2500  0.5535  0.5897  1
  Ag  Ag34  1  0.4970  0.4008  0.8081  1
  Ag  Ag35  1  0.5023  0.1893  0.3988  1
  Ag  Ag36  1  0.7452  0.1418  0.7975  1
  Ag  Ag37  1  0.7473  0.5553  0.5939  1
  Ag  Ag38  1  0.7603  0.4527  0.3896  1
  Ag  Ag39  1  0.9925  0.0937  0.2120  1
]