Ti2Al20La crystallizes in the cubic Fd-3m space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Al(3) and twelve equivalent Al(2) atoms. Ti(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form TiAl12 cuboctahedra that share corners with six equivalent Ti(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)LaTiAl10 cuboctahedra, and faces with six equivalent Al(2)LaTiAl10 cuboctahedra. There are three inequivalent Al sites. In the first Al site, Al(2) is bonded to one La(1), one Ti(1), two equivalent Al(3), three equivalent Al(1), and five equivalent Al(2) atoms to form distorted AlLaTiAl10 cuboctahedra that share corners with fifteen equivalent Al(2)LaTiAl10 cuboctahedra, edges with two equivalent Al(2)LaTiAl10 cuboctahedra, edges with three equivalent Ti(1)Al12 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)LaTiAl10 cuboctahedra. In the second Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ti(1), four equivalent Al(1), and six equivalent Al(2) atoms. In the third Al site, Al(3) is bonded in a linear geometry to two equivalent La(1) and twelve equivalent Al(2) atoms.
Ti2Al20La crystallizes in the cubic Fd-3m space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Al(3) and twelve equivalent Al(2) atoms. All La(1)-Al(3) bond lengths are 3.17 Å. All La(1)-Al(2) bond lengths are 3.24 Å. Ti(1) is bonded to six equivalent Al(1) and six equivalent Al(2) atoms to form TiAl12 cuboctahedra that share corners with six equivalent Ti(1)Al12 cuboctahedra, edges with eighteen equivalent Al(2)LaTiAl10 cuboctahedra, and faces with six equivalent Al(2)LaTiAl10 cuboctahedra. All Ti(1)-Al(1) bond lengths are 2.59 Å. All Ti(1)-Al(2) bond lengths are 2.82 Å. There are three inequivalent Al sites. In the first Al site, Al(2) is bonded to one La(1), one Ti(1), two equivalent Al(3), three equivalent Al(1), and five equivalent Al(2) atoms to form distorted AlLaTiAl10 cuboctahedra that share corners with fifteen equivalent Al(2)LaTiAl10 cuboctahedra, edges with two equivalent Al(2)LaTiAl10 cuboctahedra, edges with three equivalent Ti(1)Al12 cuboctahedra,  a faceface with one Ti(1)Al12 cuboctahedra, and faces with fifteen equivalent Al(2)LaTiAl10 cuboctahedra. Both Al(2)-Al(3) bond lengths are 3.13 Å. There is one shorter (2.73 Å) and two longer (2.87 Å) Al(2)-Al(1) bond lengths. There are a spread of Al(2)-Al(2) bond distances ranging from 2.73-2.94 Å. In the second Al site, Al(1) is bonded in a 12-coordinate geometry to two equivalent Ti(1), four equivalent Al(1), and six equivalent Al(2) atoms. All Al(1)-Al(1) bond lengths are 2.85 Å. In the third Al site, Al(3) is bonded in a linear geometry to two equivalent La(1) and twelve equivalent Al(2) atoms.