Cu2InGa(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Cu(2)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. In(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form InTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Cu(2)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Ga(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Cu(2)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Te(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form TeInGaCu2 tetrahedra that share corners with four equivalent Te(1)InGaCu2 tetrahedra and corners with eight equivalent Se(1)InGaCu2 tetrahedra. Se(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form SeInGaCu2 tetrahedra that share corners with four equivalent Se(1)InGaCu2 tetrahedra and corners with eight equivalent Te(1)InGaCu2 tetrahedra.
Cu2InGa(TeSe)2 is Clathrate-derived structured and crystallizes in the monoclinic C2 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Cu(2)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Both Cu(1)-Te(1) bond lengths are 2.59 Å. Both Cu(1)-Se(1) bond lengths are 2.50 Å. In the second Cu site, Cu(2) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form CuTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent In(1)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Both Cu(2)-Te(1) bond lengths are 2.58 Å. Both Cu(2)-Se(1) bond lengths are 2.46 Å. In(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form InTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Cu(2)Te2Se2 tetrahedra, and corners with four equivalent Ga(1)Te2Se2 tetrahedra. Both In(1)-Te(1) bond lengths are 2.82 Å. Both In(1)-Se(1) bond lengths are 2.69 Å. Ga(1) is bonded to two equivalent Te(1) and two equivalent Se(1) atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent Cu(1)Te2Se2 tetrahedra, corners with four equivalent Cu(2)Te2Se2 tetrahedra, and corners with four equivalent In(1)Te2Se2 tetrahedra. Both Ga(1)-Te(1) bond lengths are 2.67 Å. Both Ga(1)-Se(1) bond lengths are 2.52 Å. Te(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form TeInGaCu2 tetrahedra that share corners with four equivalent Te(1)InGaCu2 tetrahedra and corners with eight equivalent Se(1)InGaCu2 tetrahedra. Se(1) is bonded to one Cu(1), one Cu(2), one In(1), and one Ga(1) atom to form SeInGaCu2 tetrahedra that share corners with four equivalent Se(1)InGaCu2 tetrahedra and corners with eight equivalent Te(1)InGaCu2 tetrahedra.