data_SiPb4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPb4Au
_chemical_formula_sum   'Si1 Pb4 Au1'
_cell_volume   179.87
_cell_formula_units_Z   1
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
  Si  Si5  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.36  0.36  0.6  1.0
  Pb  Pb2  1  0.36  0.6  0.36  1.0
  Pb  Pb3  1  0.6  0.36  0.36  1.0
  Pb  Pb4  1  0.6  0.6  0.6  1.0
  Au  Au0  1  0.24  0.24  0.24  1.0

data_SiPb4Au
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   15.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiPb4Au
_chemical_formula_sum   'Si3 Pb12 Au3'
_cell_volume   539.61
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Si  Si0  3  0.0  0.0  0.0  1.0
  Pb  Pb1  9  0.08  0.16  0.56  1.0
  Pb  Pb2  3  0.0  0.0  0.4  1.0
  Au  Au3  3  0.0  0.0  0.76  1.0

Si Pb Pb Pb Pb Au
AuPb4Si crystallizes in the trigonal R3m space group. Au(1) is bonded in a 6-coordinate geometry to six equivalent Pb(1) atoms. There are three shorter (3.23 Å) and three longer (3.46 Å) Au(1)-Pb(1) bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to two equivalent Au(1), one Pb(2), two equivalent Pb(1), and one Si(1) atom. The Pb(1)-Pb(2) bond length is 2.64 Å. Both Pb(1)-Pb(1) bond lengths are 1.53 Å. The Pb(1)-Si(1) bond length is 3.23 Å. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms. Si(1) is bonded in a 3-coordinate geometry to three equivalent Pb(1) atoms.