MgZn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Mg8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mg6Zn4 cuboctahedra,  an edgeedge with one Zn(1)Mg6Zn4 cuboctahedra, edges with three equivalent Mg(2)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(2)Mg8Zn4 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms to form distorted MgMg4Zn8 cuboctahedra that share corners with six equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Mg8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mg6Zn4 cuboctahedra,  an edgeedge with one Zn(1)Mg6Zn4 cuboctahedra, edges with three equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with four equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(3)Mg4Zn8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with four equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(1)Mg6Zn4 cuboctahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Zn(3) atoms to form distorted ZnMg6Zn4 cuboctahedra that share corners with four equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with four equivalent Zn(1)Mg6Zn4 cuboctahedra, corners with eight equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with eight equivalent Mg(1)Mg8Zn4 cuboctahedra,  an edgeedge with one Mg(2)Mg4Zn8 cuboctahedra,  an edgeedge with one Mg(1)Mg8Zn4 cuboctahedra, edges with eight equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn4 cuboctahedra, and faces with six equivalent Mg(3)Mg6Zn6 cuboctahedra. In the second Zn site, Zn(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnMg8Zn4 cuboctahedra that share corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg8Zn4 cuboctahedra, and faces with six equivalent Mg(1)Mg8Zn4 cuboctahedra. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Zn(1)Mg6Zn4 cuboctahedra, corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn4 cuboctahedra, and faces with six equivalent Mg(2)Mg4Zn8 cuboctahedra.
MgZn crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), two equivalent Zn(1), and two equivalent Zn(2) atoms to form distorted MgMg8Zn4 cuboctahedra that share corners with six equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Mg8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mg6Zn4 cuboctahedra,  an edgeedge with one Zn(1)Mg6Zn4 cuboctahedra, edges with three equivalent Mg(2)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with eight equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(2)Mg8Zn4 cuboctahedra. Both Mg(1)-Mg(1) bond lengths are 3.05 Å. Both Mg(1)-Mg(2) bond lengths are 3.06 Å. All Mg(1)-Mg(3) bond lengths are 2.98 Å. Both Mg(1)-Zn(1) bond lengths are 2.93 Å. Both Mg(1)-Zn(2) bond lengths are 2.97 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Zn(1), two equivalent Zn(3), and four equivalent Zn(2) atoms to form distorted MgMg4Zn8 cuboctahedra that share corners with six equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with six equivalent Mg(1)Mg8Zn4 cuboctahedra, corners with eight equivalent Zn(1)Mg6Zn4 cuboctahedra,  an edgeedge with one Zn(1)Mg6Zn4 cuboctahedra, edges with three equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with four equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(3)Mg4Zn8 cuboctahedra. Both Mg(2)-Mg(2) bond lengths are 3.05 Å. Both Mg(2)-Zn(1) bond lengths are 2.87 Å. Both Mg(2)-Zn(3) bond lengths are 2.87 Å. All Mg(2)-Zn(2) bond lengths are 2.99 Å. In the third Mg site, Mg(3) is bonded to two equivalent Mg(3), four equivalent Mg(1), two equivalent Zn(1), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted MgMg6Zn6 cuboctahedra that share corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with three equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with four equivalent Mg(1)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with four equivalent Mg(1)Mg8Zn4 cuboctahedra, and faces with six equivalent Zn(1)Mg6Zn4 cuboctahedra. Both Mg(3)-Mg(3) bond lengths are 3.05 Å. Both Mg(3)-Zn(1) bond lengths are 2.89 Å. Both Mg(3)-Zn(2) bond lengths are 3.05 Å. Both Mg(3)-Zn(3) bond lengths are 2.91 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Zn(3) atoms to form distorted ZnMg6Zn4 cuboctahedra that share corners with four equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with four equivalent Zn(1)Mg6Zn4 cuboctahedra, corners with eight equivalent Mg(2)Mg4Zn8 cuboctahedra, corners with eight equivalent Mg(1)Mg8Zn4 cuboctahedra,  an edgeedge with one Mg(2)Mg4Zn8 cuboctahedra,  an edgeedge with one Mg(1)Mg8Zn4 cuboctahedra, edges with eight equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn4 cuboctahedra, and faces with six equivalent Mg(3)Mg6Zn6 cuboctahedra. All Zn(1)-Zn(3) bond lengths are 2.97 Å. In the second Zn site, Zn(2) is bonded to two equivalent Mg(1), two equivalent Mg(3), four equivalent Mg(2), two equivalent Zn(2), and two equivalent Zn(3) atoms to form distorted ZnMg8Zn4 cuboctahedra that share corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(3)Mg4Zn8 cuboctahedra, edges with four equivalent Mg(2)Mg4Zn8 cuboctahedra, edges with eight equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with two equivalent Zn(1)Mg6Zn4 cuboctahedra, faces with four equivalent Mg(2)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(2)Mg8Zn4 cuboctahedra, and faces with six equivalent Mg(1)Mg8Zn4 cuboctahedra. Both Zn(2)-Zn(2) bond lengths are 3.05 Å. Both Zn(2)-Zn(3) bond lengths are 2.91 Å. In the third Zn site, Zn(3) is bonded to two equivalent Mg(2), two equivalent Mg(3), two equivalent Zn(2), two equivalent Zn(3), and four equivalent Zn(1) atoms to form distorted ZnMg4Zn8 cuboctahedra that share corners with four equivalent Zn(1)Mg6Zn4 cuboctahedra, corners with six equivalent Mg(3)Mg6Zn6 cuboctahedra, corners with six equivalent Zn(3)Mg4Zn8 cuboctahedra, corners with six equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with three equivalent Mg(3)Mg6Zn6 cuboctahedra, edges with three equivalent Zn(2)Mg8Zn4 cuboctahedra, edges with eight equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Mg(3)Mg6Zn6 cuboctahedra, faces with two equivalent Mg(1)Mg8Zn4 cuboctahedra, faces with two equivalent Zn(2)Mg8Zn4 cuboctahedra, faces with four equivalent Zn(3)Mg4Zn8 cuboctahedra, faces with four equivalent Zn(1)Mg6Zn4 cuboctahedra, and faces with six equivalent Mg(2)Mg4Zn8 cuboctahedra. Both Zn(3)-Zn(3) bond lengths are 3.05 Å.