Mg14AlSn crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with four equivalent Sn(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Al2 cuboctahedra, corners with eight equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10AlSn cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Al(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Al2 cuboctahedra, edges with two equivalent Sn(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10AlSn cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Al(1), and one Sn(1) atom to form distorted MgMg10AlSn cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10AlSn cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(3)Mg10AlSn cuboctahedra, edges with four equivalent Mg(2)Mg10Sn2 cuboctahedra,  a faceface with one Al(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Al2 cuboctahedra, faces with five equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with six equivalent Mg(3)Mg10AlSn cuboctahedra. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with six equivalent Mg(3)Mg10AlSn cuboctahedra, edges with six equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Al2 cuboctahedra, faces with three equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with three equivalent Al(1)Mg12 cuboctahedra, faces with three equivalent Sn(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10AlSn cuboctahedra. Al(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form AlMg12 cuboctahedra that share corners with six equivalent Al(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Sn(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with six equivalent Mg(3)Mg10AlSn cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Sn(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form SnMg12 cuboctahedra that share corners with six equivalent Sn(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Al2 cuboctahedra, edges with six equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10AlSn cuboctahedra, faces with six equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.
Mg14AlSn crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Al(1) atoms to form MgMg10Al2 cuboctahedra that share corners with four equivalent Sn(1)Mg12 cuboctahedra, corners with six equivalent Mg(1)Mg10Al2 cuboctahedra, corners with eight equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, faces with four equivalent Mg(1)Mg10Al2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10AlSn cuboctahedra. Both Mg(1)-Mg(4) bond lengths are 3.16 Å. All Mg(1)-Mg(1) bond lengths are 3.16 Å. All Mg(1)-Mg(3) bond lengths are 3.14 Å. Both Mg(1)-Al(1) bond lengths are 3.16 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Sn(1) atoms to form distorted MgMg10Sn2 cuboctahedra that share corners with four equivalent Al(1)Mg12 cuboctahedra, corners with six equivalent Mg(2)Mg10Sn2 cuboctahedra, corners with eight equivalent Mg(1)Mg10Al2 cuboctahedra, edges with two equivalent Sn(1)Mg12 cuboctahedra, edges with four equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with four equivalent Mg(4)Mg12 cuboctahedra, edges with eight equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Mg(1)Mg10Al2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with two equivalent Sn(1)Mg12 cuboctahedra, faces with four equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with ten equivalent Mg(3)Mg10AlSn cuboctahedra. Both Mg(2)-Mg(4) bond lengths are 3.18 Å. All Mg(2)-Mg(2) bond lengths are 3.16 Å. All Mg(2)-Mg(3) bond lengths are 3.20 Å. Both Mg(2)-Sn(1) bond lengths are 3.16 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), one Al(1), and one Sn(1) atom to form distorted MgMg10AlSn cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra, corners with fourteen equivalent Mg(3)Mg10AlSn cuboctahedra, edges with two equivalent Mg(4)Mg12 cuboctahedra, edges with two equivalent Al(1)Mg12 cuboctahedra, edges with two equivalent Sn(1)Mg12 cuboctahedra, edges with four equivalent Mg(1)Mg10Al2 cuboctahedra, edges with four equivalent Mg(3)Mg10AlSn cuboctahedra, edges with four equivalent Mg(2)Mg10Sn2 cuboctahedra,  a faceface with one Al(1)Mg12 cuboctahedra,  a faceface with one Sn(1)Mg12 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with five equivalent Mg(1)Mg10Al2 cuboctahedra, faces with five equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with six equivalent Mg(3)Mg10AlSn cuboctahedra. Both Mg(3)-Mg(4) bond lengths are 3.16 Å. All Mg(3)-Mg(3) bond lengths are 3.16 Å. The Mg(3)-Al(1) bond length is 3.14 Å. The Mg(3)-Sn(1) bond length is 3.20 Å. In the fourth Mg site, Mg(4) is bonded to three equivalent Mg(1), three equivalent Mg(2), and six equivalent Mg(3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra, corners with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with six equivalent Mg(3)Mg10AlSn cuboctahedra, edges with six equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with two equivalent Mg(4)Mg12 cuboctahedra, faces with three equivalent Mg(1)Mg10Al2 cuboctahedra, faces with three equivalent Mg(2)Mg10Sn2 cuboctahedra, faces with three equivalent Al(1)Mg12 cuboctahedra, faces with three equivalent Sn(1)Mg12 cuboctahedra, and faces with six equivalent Mg(3)Mg10AlSn cuboctahedra. Al(1) is bonded to six equivalent Mg(1) and six equivalent Mg(3) atoms to form AlMg12 cuboctahedra that share corners with six equivalent Al(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with six equivalent Mg(1)Mg10Al2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Sn(1)Mg12 cuboctahedra, faces with six equivalent Mg(1)Mg10Al2 cuboctahedra, faces with six equivalent Mg(3)Mg10AlSn cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra. Sn(1) is bonded to six equivalent Mg(2) and six equivalent Mg(3) atoms to form SnMg12 cuboctahedra that share corners with six equivalent Sn(1)Mg12 cuboctahedra, corners with twelve equivalent Mg(1)Mg10Al2 cuboctahedra, edges with six equivalent Mg(2)Mg10Sn2 cuboctahedra, edges with twelve equivalent Mg(3)Mg10AlSn cuboctahedra, faces with two equivalent Al(1)Mg12 cuboctahedra, faces with six equivalent Mg(3)Mg10AlSn cuboctahedra, faces with six equivalent Mg(2)Mg10Sn2 cuboctahedra, and faces with six equivalent Mg(4)Mg12 cuboctahedra.