data_[Zn18Cu3Ag36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.3927]
_cell_length_b [12.3927]
_cell_length_c [7.1889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn6CuAg12]
_chemical_formula_sum '[Zn18 Cu3 Ag36]'
_cell_volume [956.1527]
_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
[
  Zn  Zn0  18  0.0333  0.2787  0.3306  1.0
  Cu  Cu1  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  18  0.0127  0.1395  0.6675  1.0
  Ag  Ag3  18  0.0691  0.5646  0.6684  1.0
]