GaPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ga(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form distorted GaPb12 cuboctahedra that share corners with four equivalent Ga(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, edges with eight equivalent Ga(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Ga4Pb8 cuboctahedra, faces with four equivalent Ga(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Ga4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Ga4Pb8 cuboctahedra. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Ga(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbGa4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Ga4Pb8 cuboctahedra, edges with eight equivalent Ga(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Ga4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, faces with four equivalent Ga(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Ga4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Ga4Pb8 cuboctahedra. In the second Pb site, Pb(2) is bonded to four equivalent Ga(1) and eight equivalent Pb(1) atoms to form distorted PbGa4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Ga4Pb8 cuboctahedra, corners with eight equivalent Ga(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Ga4Pb8 cuboctahedra, faces with four equivalent Pb(2)Ga4Pb8 cuboctahedra, faces with six equivalent Ga(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Ga4Pb8 cuboctahedra.
GaPb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Ga(1) is bonded to four equivalent Pb(2) and eight equivalent Pb(1) atoms to form distorted GaPb12 cuboctahedra that share corners with four equivalent Ga(1)Pb12 cuboctahedra, corners with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, edges with eight equivalent Ga(1)Pb12 cuboctahedra, edges with sixteen equivalent Pb(1)Ga4Pb8 cuboctahedra, faces with four equivalent Ga(1)Pb12 cuboctahedra, faces with six equivalent Pb(2)Ga4Pb8 cuboctahedra, and faces with eight equivalent Pb(1)Ga4Pb8 cuboctahedra. All Ga(1)-Pb(2) bond lengths are 3.38 Å. All Ga(1)-Pb(1) bond lengths are 3.45 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to four equivalent Ga(1), four equivalent Pb(1), and four equivalent Pb(2) atoms to form distorted PbGa4Pb8 cuboctahedra that share corners with twelve equivalent Pb(1)Ga4Pb8 cuboctahedra, edges with eight equivalent Ga(1)Pb12 cuboctahedra, edges with eight equivalent Pb(1)Ga4Pb8 cuboctahedra, edges with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, faces with four equivalent Ga(1)Pb12 cuboctahedra, faces with four equivalent Pb(2)Ga4Pb8 cuboctahedra, and faces with ten equivalent Pb(1)Ga4Pb8 cuboctahedra. All Pb(1)-Pb(1) bond lengths are 3.38 Å. All Pb(1)-Pb(2) bond lengths are 3.45 Å. In the second Pb site, Pb(2) is bonded to four equivalent Ga(1) and eight equivalent Pb(1) atoms to form distorted PbGa4Pb8 cuboctahedra that share corners with four equivalent Pb(2)Ga4Pb8 cuboctahedra, corners with eight equivalent Ga(1)Pb12 cuboctahedra, edges with eight equivalent Pb(2)Ga4Pb8 cuboctahedra, edges with sixteen equivalent Pb(1)Ga4Pb8 cuboctahedra, faces with four equivalent Pb(2)Ga4Pb8 cuboctahedra, faces with six equivalent Ga(1)Pb12 cuboctahedra, and faces with eight equivalent Pb(1)Ga4Pb8 cuboctahedra.