Au12In3Sn is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are seven inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted see-saw-like geometry to four equivalent Au(5), four equivalent Au(7), two equivalent In(2), and two equivalent Sn(1) atoms. In the second Au site, Au(2) is bonded in a distorted see-saw-like geometry to four equivalent Au(4), four equivalent Au(6), two equivalent In(1), and two equivalent In(2) atoms. In the third Au site, Au(3) is bonded in a distorted see-saw-like geometry to two equivalent Au(4), two equivalent Au(5), two equivalent Au(6), two equivalent Au(7), one In(1), two equivalent In(2), and one Sn(1) atom. In the fourth Au site, Au(4) is bonded to one Au(4), one Au(5), two equivalent Au(2), two equivalent Au(3), two equivalent Au(6), two equivalent In(1), and two equivalent In(2) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent Au(4)In4Au8 cuboctahedra, corners with four equivalent In(1)Au12 cuboctahedra, corners with six equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra,  a faceface with one Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with three equivalent Au(4)In4Au8 cuboctahedra, and faces with six equivalent Au(6)In4Au8 cuboctahedra. In the fifth Au site, Au(5) is bonded to one Au(4), one Au(5), two equivalent Au(1), two equivalent Au(3), two equivalent Au(7), two equivalent In(2), and two equivalent Sn(1) atoms to form distorted AuIn2Sn2Au8 cuboctahedra that share corners with four equivalent Au(5)In2Sn2Au8 cuboctahedra, corners with four equivalent Sn(1)Au12 cuboctahedra, corners with six equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra,  a faceface with one Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(6)In4Au8 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with three equivalent Au(5)In2Sn2Au8 cuboctahedra, and faces with six equivalent Au(7)In2Sn2Au8 cuboctahedra. In the sixth Au site, Au(6) is bonded to one Au(6), one Au(7), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent In(1), and two equivalent In(2) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent Au(6)In4Au8 cuboctahedra, corners with four equivalent In(2)Au12 cuboctahedra, corners with six equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra,  a faceface with one Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with three equivalent Au(6)In4Au8 cuboctahedra, and faces with six equivalent Au(4)In4Au8 cuboctahedra. In the seventh Au site, Au(7) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(3), two equivalent Au(5), two equivalent In(2), and two equivalent Sn(1) atoms to form distorted AuIn2Sn2Au8 cuboctahedra that share corners with four equivalent Au(7)In2Sn2Au8 cuboctahedra, corners with four equivalent In(2)Au12 cuboctahedra, corners with six equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra,  a faceface with one Au(6)In4Au8 cuboctahedra, faces with two equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with three equivalent Au(7)In2Sn2Au8 cuboctahedra, and faces with six equivalent Au(5)In2Sn2Au8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Au(2), two equivalent Au(3), four equivalent Au(4), and four equivalent Au(6) atoms to form InAu12 cuboctahedra that share corners with two equivalent Sn(1)Au12 cuboctahedra, corners with eight equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with four equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(6)In4Au8 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with four equivalent Au(4)In4Au8 cuboctahedra, faces with four equivalent Au(6)In4Au8 cuboctahedra, and faces with four equivalent In(2)Au12 cuboctahedra. In the second In site, In(2) is bonded to one Au(1), one Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(5), two equivalent Au(6), and two equivalent Au(7) atoms to form InAu12 cuboctahedra that share corners with two equivalent In(2)Au12 cuboctahedra, corners with four equivalent Au(7)In2Sn2Au8 cuboctahedra, corners with four equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(6)In4Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, and faces with two equivalent Sn(1)Au12 cuboctahedra. Sn(1) is bonded to two equivalent Au(1), two equivalent Au(3), four equivalent Au(5), and four equivalent Au(7) atoms to form SnAu12 cuboctahedra that share corners with two equivalent In(1)Au12 cuboctahedra, corners with eight equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(4)In4Au8 cuboctahedra, edges with four equivalent Au(6)In4Au8 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with four equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with four equivalent Au(7)In2Sn2Au8 cuboctahedra, and faces with four equivalent In(2)Au12 cuboctahedra.
Au12In3Sn is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. There are seven inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted see-saw-like geometry to four equivalent Au(5), four equivalent Au(7), two equivalent In(2), and two equivalent Sn(1) atoms. All Au(1)-Au(5) bond lengths are 3.00 Å. There are two shorter (3.02 Å) and two longer (3.10 Å) Au(1)-Au(7) bond lengths. Both Au(1)-In(2) bond lengths are 2.94 Å. Both Au(1)-Sn(1) bond lengths are 3.05 Å. In the second Au site, Au(2) is bonded in a distorted see-saw-like geometry to four equivalent Au(4), four equivalent Au(6), two equivalent In(1), and two equivalent In(2) atoms. All Au(2)-Au(4) bond lengths are 3.00 Å. There are two shorter (3.04 Å) and two longer (3.06 Å) Au(2)-Au(6) bond lengths. Both Au(2)-In(1) bond lengths are 3.04 Å. Both Au(2)-In(2) bond lengths are 2.93 Å. In the third Au site, Au(3) is bonded in a distorted see-saw-like geometry to two equivalent Au(4), two equivalent Au(5), two equivalent Au(6), two equivalent Au(7), one In(1), two equivalent In(2), and one Sn(1) atom. There is one shorter (3.03 Å) and one longer (3.04 Å) Au(3)-Au(4) bond length. There is one shorter (3.05 Å) and one longer (3.06 Å) Au(3)-Au(5) bond length. Both Au(3)-Au(6) bond lengths are 2.99 Å. Both Au(3)-Au(7) bond lengths are 3.01 Å. The Au(3)-In(1) bond length is 2.91 Å. Both Au(3)-In(2) bond lengths are 3.04 Å. The Au(3)-Sn(1) bond length is 2.97 Å. In the fourth Au site, Au(4) is bonded to one Au(4), one Au(5), two equivalent Au(2), two equivalent Au(3), two equivalent Au(6), two equivalent In(1), and two equivalent In(2) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent Au(4)In4Au8 cuboctahedra, corners with four equivalent In(1)Au12 cuboctahedra, corners with six equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra,  a faceface with one Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with three equivalent Au(4)In4Au8 cuboctahedra, and faces with six equivalent Au(6)In4Au8 cuboctahedra. The Au(4)-Au(4) bond length is 2.95 Å. The Au(4)-Au(5) bond length is 2.90 Å. Both Au(4)-Au(6) bond lengths are 3.03 Å. There is one shorter (3.05 Å) and one longer (3.06 Å) Au(4)-In(1) bond length. Both Au(4)-In(2) bond lengths are 2.99 Å. In the fifth Au site, Au(5) is bonded to one Au(4), one Au(5), two equivalent Au(1), two equivalent Au(3), two equivalent Au(7), two equivalent In(2), and two equivalent Sn(1) atoms to form distorted AuIn2Sn2Au8 cuboctahedra that share corners with four equivalent Au(5)In2Sn2Au8 cuboctahedra, corners with four equivalent Sn(1)Au12 cuboctahedra, corners with six equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra,  a faceface with one Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(6)In4Au8 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with three equivalent Au(5)In2Sn2Au8 cuboctahedra, and faces with six equivalent Au(7)In2Sn2Au8 cuboctahedra. The Au(5)-Au(5) bond length is 2.99 Å. Both Au(5)-Au(7) bond lengths are 3.02 Å. Both Au(5)-In(2) bond lengths are 2.99 Å. Both Au(5)-Sn(1) bond lengths are 3.07 Å. In the sixth Au site, Au(6) is bonded to one Au(6), one Au(7), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent In(1), and two equivalent In(2) atoms to form distorted AuIn4Au8 cuboctahedra that share corners with four equivalent Au(6)In4Au8 cuboctahedra, corners with four equivalent In(2)Au12 cuboctahedra, corners with six equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra,  a faceface with one Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with three equivalent Au(6)In4Au8 cuboctahedra, and faces with six equivalent Au(4)In4Au8 cuboctahedra. The Au(6)-Au(6) bond length is 2.90 Å. The Au(6)-Au(7) bond length is 2.95 Å. Both Au(6)-In(1) bond lengths are 2.99 Å. There is one shorter (3.05 Å) and one longer (3.07 Å) Au(6)-In(2) bond length. In the seventh Au site, Au(7) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(3), two equivalent Au(5), two equivalent In(2), and two equivalent Sn(1) atoms to form distorted AuIn2Sn2Au8 cuboctahedra that share corners with four equivalent Au(7)In2Sn2Au8 cuboctahedra, corners with four equivalent In(2)Au12 cuboctahedra, corners with six equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra,  a faceface with one Au(6)In4Au8 cuboctahedra, faces with two equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with three equivalent Au(7)In2Sn2Au8 cuboctahedra, and faces with six equivalent Au(5)In2Sn2Au8 cuboctahedra. The Au(7)-Au(7) bond length is 2.94 Å. There is one shorter (3.05 Å) and one longer (3.06 Å) Au(7)-In(2) bond length. Both Au(7)-Sn(1) bond lengths are 3.00 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Au(2), two equivalent Au(3), four equivalent Au(4), and four equivalent Au(6) atoms to form InAu12 cuboctahedra that share corners with two equivalent Sn(1)Au12 cuboctahedra, corners with eight equivalent Au(4)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with four equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(6)In4Au8 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with four equivalent Au(4)In4Au8 cuboctahedra, faces with four equivalent Au(6)In4Au8 cuboctahedra, and faces with four equivalent In(2)Au12 cuboctahedra. In the second In site, In(2) is bonded to one Au(1), one Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(5), two equivalent Au(6), and two equivalent Au(7) atoms to form InAu12 cuboctahedra that share corners with two equivalent In(2)Au12 cuboctahedra, corners with four equivalent Au(7)In2Sn2Au8 cuboctahedra, corners with four equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with two equivalent Au(6)In4Au8 cuboctahedra, edges with two equivalent In(1)Au12 cuboctahedra, edges with two equivalent In(2)Au12 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(7)In2Sn2Au8 cuboctahedra, faces with two equivalent Au(4)In4Au8 cuboctahedra, faces with two equivalent Au(6)In4Au8 cuboctahedra, faces with two equivalent In(1)Au12 cuboctahedra, faces with two equivalent In(2)Au12 cuboctahedra, and faces with two equivalent Sn(1)Au12 cuboctahedra. Sn(1) is bonded to two equivalent Au(1), two equivalent Au(3), four equivalent Au(5), and four equivalent Au(7) atoms to form SnAu12 cuboctahedra that share corners with two equivalent In(1)Au12 cuboctahedra, corners with eight equivalent Au(5)In2Sn2Au8 cuboctahedra, edges with two equivalent Sn(1)Au12 cuboctahedra, edges with four equivalent Au(7)In2Sn2Au8 cuboctahedra, edges with four equivalent Au(4)In4Au8 cuboctahedra, edges with four equivalent Au(6)In4Au8 cuboctahedra, edges with four equivalent In(2)Au12 cuboctahedra, faces with two equivalent Sn(1)Au12 cuboctahedra, faces with four equivalent Au(5)In2Sn2Au8 cuboctahedra, faces with four equivalent Au(7)In2Sn2Au8 cuboctahedra, and faces with four equivalent In(2)Au12 cuboctahedra.