data_[Ag36Pb3Au18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.3567]
_cell_length_b [12.3567]
_cell_length_c [8.8191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ag12PbAu6]
_chemical_formula_sum '[Ag36 Pb3 Au18]'
_cell_volume [1166.1610]
_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
[
  Ag  Ag0  18  0.0000  0.3873  0.5000  1
  Ag  Ag1  18  0.0819  0.1638  0.2664  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
  Au  Au3  18  0.0753  0.5376  0.2303  1
]