InAl(CuS2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. S(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Al(1) atom to form corner-sharing SAlInCu2 tetrahedra.
InAl(CuS2)2 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.35 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. All Cu(2)-S(1) bond lengths are 2.34 Å. In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent Al(1)S4 tetrahedra. All In(1)-S(1) bond lengths are 2.50 Å. Al(1) is bonded to four equivalent S(1) atoms to form AlS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. All Al(1)-S(1) bond lengths are 2.28 Å. S(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Al(1) atom to form corner-sharing SAlInCu2 tetrahedra.