data_[Cu12Ag9]
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 [R3]
_cell_length_a [7.2313]
_cell_length_b [7.2313]
_cell_length_c [6.7089]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Cu4Ag3]
_chemical_formula_sum '[Cu12 Ag9]'
_cell_volume [303.8217]
_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  9  0.1479  0.7103  0.9945  1
  Cu  Cu1  3  0.0000  0.0000  0.0200  1
  Ag  Ag2  9  0.0598  0.2463  0.6655  1
]