data_[Cu4Ag12]
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 [P1]
_cell_length_a [4.9374]
_cell_length_b [6.3721]
_cell_length_c [8.6324]
_cell_angle_alpha [98.5604]
_cell_angle_beta [95.6963]
_cell_angle_gamma [97.0518]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CuAg3]
_chemical_formula_sum '[Cu4 Ag12]'
_cell_volume [264.6134]
_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  1  0.0008  0.7466  0.2536  1
  Cu  Cu1  1  0.2459  0.4464  0.0751  1
  Cu  Cu2  1  0.4981  0.6292  0.3686  1
  Cu  Cu3  1  0.7555  0.0492  0.4308  1
  Ag  Ag4  1  0.0004  0.2484  0.7468  1
  Ag  Ag5  1  0.0015  0.5017  0.4918  1
  Ag  Ag6  1  0.2481  0.1899  0.3097  1
  Ag  Ag7  1  0.2522  0.9338  0.5478  1
  Ag  Ag8  1  0.2531  0.6852  0.8170  1
  Ag  Ag9  1  0.4934  0.1279  0.8799  1
  Ag  Ag10  1  0.5007  0.8633  0.1408  1
  Ag  Ag11  1  0.5070  0.3737  0.6159  1
  Ag  Ag12  1  0.7408  0.3223  0.1917  1
  Ag  Ag13  1  0.7474  0.8141  0.6783  1
  Ag  Ag14  1  0.7573  0.5642  0.9455  1
  Ag  Ag15  1  0.9976  0.0040  0.0068  1
]