data_[Cu12Ag8]
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 [C2]
_cell_length_a [4.6701]
_cell_length_b [13.7674]
_cell_length_c [4.6804]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cu3Ag2]
_chemical_formula_sum '[Cu12 Ag8]'
_cell_volume [286.2509]
_cell_formula_units_Z [4]
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  0.0000  0.0044  0.0000  1
  Cu  Cu1  2  0.0000  0.1021  0.5000  1
  Cu  Cu2  2  0.0000  0.1943  0.0000  1
  Cu  Cu3  2  0.0000  0.4028  0.0000  1
  Cu  Cu4  2  0.0000  0.5031  0.5000  1
  Cu  Cu5  2  0.0000  0.6917  0.5000  1
  Ag  Ag6  2  0.0000  0.2958  0.5000  1
  Ag  Ag7  2  0.0000  0.5959  0.0000  1
  Ag  Ag8  2  0.0000  0.7996  0.0000  1
  Ag  Ag9  2  0.0000  0.9102  0.5000  1
]