The material described by PdPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Pb(1) and eight equivalent Pb(2) atoms to form PdPb12 cuboctahedra that share corners with four equivalent Pd(1)Pb12 cuboctahedra, corners with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with eight equivalent Pd(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pd(1)Pb12 cuboctahedra, faces with six equivalent Pb(1)Pd4Pb8 cuboctahedra, and faces with eight equivalent Pb(2)Pd4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Pd(1) and eight equivalent Pb(2) atoms to form PbPd4Pb8 cuboctahedra that share corners with four equivalent Pb(1)Pd4Pb8 cuboctahedra, corners with eight equivalent Pd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with sixteen equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pb(1)Pd4Pb8 cuboctahedra, faces with six equivalent Pd(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(2)Pd4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Pd(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form PbPd4Pb8 cuboctahedra that share corners with twelve equivalent Pb(2)Pd4Pb8 cuboctahedra, edges with eight equivalent Pd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pd(1)Pb12 cuboctahedra, faces with four equivalent Pb(1)Pd4Pb8 cuboctahedra, and faces with ten equivalent Pb(2)Pd4Pb8 cuboctahedra. is represented by the CIF card [CIF]
data_PdPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   5.696
_cell_angle_alpha   130.053
_cell_angle_beta   130.053
_cell_angle_gamma   73.321
_symmetry_Int_Tables_number   1
_cell_volume   105.718
_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
  Pd  Pd0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.750  0.250  0.500  1.0
  Pb  Pb3  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material described by PdPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Pd(1) is bonded to four equivalent Pb(1) and eight equivalent Pb(2) atoms to form PdPb12 cuboctahedra that share corners with four equivalent Pd(1)Pb12 cuboctahedra, corners with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with eight equivalent Pd(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pd(1)Pb12 cuboctahedra, faces with six equivalent Pb(1)Pd4Pb8 cuboctahedra, and faces with eight equivalent Pb(2)Pd4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Pd(1) and eight equivalent Pb(2) atoms to form PbPd4Pb8 cuboctahedra that share corners with four equivalent Pb(1)Pd4Pb8 cuboctahedra, corners with eight equivalent Pd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with sixteen equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pb(1)Pd4Pb8 cuboctahedra, faces with six equivalent Pd(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(2)Pd4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Pd(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form PbPd4Pb8 cuboctahedra that share corners with twelve equivalent Pb(2)Pd4Pb8 cuboctahedra, edges with eight equivalent Pd(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Pd4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Pd4Pb8 cuboctahedra, faces with four equivalent Pd(1)Pb12 cuboctahedra, faces with four equivalent Pb(1)Pd4Pb8 cuboctahedra, and faces with ten equivalent Pb(2)Pd4Pb8 cuboctahedra. is represented by the CIF card [CIF]
data_PdPb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.696
_cell_length_b   5.696
_cell_length_c   5.696
_cell_angle_alpha   130.053
_cell_angle_beta   130.053
_cell_angle_gamma   73.321
_symmetry_Int_Tables_number   1
_cell_volume   105.718
_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
  Pd  Pd0  1  0.000  0.000  0.000  1.0
  Pb  Pb1  1  0.500  0.500  0.000  1.0
  Pb  Pb2  1  0.750  0.250  0.500  1.0
  Pb  Pb3  1  0.250  0.750  0.500  1.0
[/CIF]
.