data_[Cu3Ag6]
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 [P3m1]
_cell_length_a [2.8538]
_cell_length_b [2.8538]
_cell_length_c [20.4809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [CuAg2]
_chemical_formula_sum '[Cu3 Ag6]'
_cell_volume [144.4500]
_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  1  0.0000  0.0000  0.5606  1
  Cu  Cu1  1  0.0000  0.0000  0.8955  1
  Cu  Cu2  1  0.6667  0.3333  0.9885  1
  Ag  Ag3  1  0.0000  0.0000  0.2154  1
  Ag  Ag4  1  0.3333  0.6667  0.0956  1
  Ag  Ag5  1  0.3333  0.6667  0.4545  1
  Ag  Ag6  1  0.3333  0.6667  0.7881  1
  Ag  Ag7  1  0.6667  0.3333  0.3348  1
  Ag  Ag8  1  0.6667  0.3333  0.6671  1
]