data_[Cu9Ag12]
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 [R3m]
_cell_length_a [2.8113]
_cell_length_b [2.8113]
_cell_length_c [47.4208]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Cu3Ag4]
_chemical_formula_sum '[Cu9 Ag12]'
_cell_volume [324.5762]
_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  3  0.0000  0.0000  0.0046  1
  Cu  Cu1  3  0.0000  0.0000  0.1400  1
  Cu  Cu2  3  0.0000  0.0000  0.7126  1
  Ag  Ag3  3  0.0000  0.0000  0.2910  1
  Ag  Ag4  3  0.0000  0.0000  0.4263  1
  Ag  Ag5  3  0.0000  0.0000  0.5721  1
  Ag  Ag6  3  0.0000  0.0000  0.8534  1
]