W5Al6N16 crystallizes in the cubic I-43m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1) and three equivalent N(2) atoms to form WN4 tetrahedra that share  a cornercorner with one W(2)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. In the second W site, W(2) is bonded to four equivalent N(1) atoms to form corner-sharing WN4 tetrahedra. Al(1) is bonded to four equivalent N(2) atoms to form AlN4 tetrahedra that share corners with four equivalent W(1)N4 tetrahedra and corners with four equivalent Al(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one W(1) and two equivalent Al(1) atoms.
W5Al6N16 crystallizes in the cubic I-43m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded to one N(1) and three equivalent N(2) atoms to form WN4 tetrahedra that share  a cornercorner with one W(2)N4 tetrahedra and corners with six equivalent Al(1)N4 tetrahedra. The W(1)-N(1) bond length is 1.86 Å. All W(1)-N(2) bond lengths are 1.89 Å. In the second W site, W(2) is bonded to four equivalent N(1) atoms to form corner-sharing WN4 tetrahedra. All W(2)-N(1) bond lengths are 1.86 Å. Al(1) is bonded to four equivalent N(2) atoms to form AlN4 tetrahedra that share corners with four equivalent W(1)N4 tetrahedra and corners with four equivalent Al(1)N4 tetrahedra. All Al(1)-N(2) bond lengths are 1.89 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one W(1) and one W(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one W(1) and two equivalent Al(1) atoms.