data_[Cu12Ag4]
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 [Imma]
_cell_length_a [3.7449]
_cell_length_b [3.8065]
_cell_length_c [14.9780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [Cu3Ag]
_chemical_formula_sum '[Cu12 Ag4]'
_cell_volume [213.5128]
_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  4  0.0000  0.2500  0.1940  1
  Cu  Cu1  4  0.0000  0.2500  0.6933  1
  Cu  Cu2  4  0.0000  0.2500  0.9301  1
  Ag  Ag3  4  0.0000  0.2500  0.4322  1
]