data_[Sn18Pb36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [10.4367]
_cell_length_b [10.4367]
_cell_length_c [18.1971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sn6Pb12Au]
_chemical_formula_sum '[Sn18 Pb36 Au3]'
_cell_volume [1716.5697]
_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
[
  Sn  Sn0  18  0.0993  0.5496  0.7701  1
  Pb  Pb1  18  0.1027  0.5513  0.4161  1
  Pb  Pb2  18  0.1107  0.2213  0.4091  1
  Au  Au3  3  0.0000  0.0000  0.0000  1
]