data_[Cu1Ag39]
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 [P-1]
_cell_length_a [7.7605]
_cell_length_b [9.2822]
_cell_length_c [10.1591]
_cell_angle_alpha [89.9212]
_cell_angle_beta [77.3676]
_cell_angle_gamma [89.9386]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuAg39]
_chemical_formula_sum '[Cu1 Ag39]'
_cell_volume [714.0948]
_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  0.5000  0.0000  1
  Ag  Ag1  2  0.0492  0.7953  0.0739  1
  Ag  Ag2  2  0.0498  0.8000  0.5764  1
  Ag  Ag3  2  0.0996  0.1010  0.6504  1
  Ag  Ag4  2  0.1005  0.0981  0.1496  1
  Ag  Ag5  2  0.1475  0.4011  0.2218  1
  Ag  Ag6  2  0.1482  0.4017  0.7290  1
  Ag  Ag7  2  0.1974  0.6974  0.8032  1
  Ag  Ag8  2  0.2000  0.7002  0.3008  1
  Ag  Ag9  2  0.2494  0.0000  0.8756  1
  Ag  Ag10  2  0.2507  -0.0000  0.3754  1
  Ag  Ag11  2  0.2968  0.3029  0.9508  1
  Ag  Ag12  2  0.2987  0.3008  0.4502  1
  Ag  Ag13  2  0.3461  0.5983  0.0247  1
  Ag  Ag14  2  0.3497  0.5999  0.5264  1
  Ag  Ag15  2  0.3998  0.8993  0.6008  1
  Ag  Ag16  2  0.4009  0.8984  0.0997  1
  Ag  Ag17  2  0.4489  0.2006  0.6751  1
  Ag  Ag18  2  0.4497  0.2006  0.1746  1
  Ag  Ag19  2  0.4981  0.5001  0.2500  1
  Ag  Ag20  1  0.0000  0.5000  0.5000  1
]