data_Y2PbAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92
_cell_length_b   9.92
_cell_length_c   9.92
_cell_angle_alpha   21.6
_cell_angle_beta   21.6
_cell_angle_gamma   21.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2PbAu
_chemical_formula_sum   'Y2 Pb1 Au1'
_cell_volume   115.97
_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
  Y  Y2  1  0.0  0.0  0.98  1.0
  Y  Y3  1  0.0  0.0  0.2  1.0
  Pb  Pb1  1  0.0  0.0  0.98  1.0
  Au  Au0  1  0.0  0.0  0.48  1.0

data_Y2PbAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.44
_cell_length_b   3.72
_cell_length_c   9.92
_cell_angle_alpha   90.0
_cell_angle_beta   102.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2PbAu
_chemical_formula_sum   'Y4 Pb2 Au2'
_cell_volume   231.94
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.02  1.0
  Y  Y1  2  0.0  0.0  0.8  1.0
  Pb  Pb2  2  0.0  0.0  0.02  1.0
  Au  Au3  2  0.0  0.0  0.52  1.0

Y Y Pb Au 0 2 o o o 0 1 o o + 1 2 o o - 1 3 o o o 
Y2AuPb is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2AuPb clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Pb(1) atom. The Y(1)-Pb(1) bond length is 0.07 Å. In the second Y site, Y(2) is bonded in a linear geometry to one Au(1) and one Pb(1) atom. The Y(2)-Au(1) bond length is 2.70 Å. The Y(2)-Pb(1) bond length is 2.20 Å. Au(1) is bonded in a single-bond geometry to one Y(2) atom. Pb(1) is bonded in a single-bond geometry to one Y(1) and one Y(2) atom.