CdZn4Se4S is Stannite-like structured and crystallizes in the orthorhombic Imm2 space group. Cd(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CdSe2S2 tetrahedra that share corners with two equivalent Cd(1)Se2S2 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, and corners with eight equivalent Zn(1)Se3S tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2), two equivalent Se(1), and one S(1) atom to form ZnSe3S tetrahedra that share corners with three equivalent Zn(1)Se3S tetrahedra, corners with four equivalent Cd(1)Se2S2 tetrahedra, and corners with five equivalent Zn(2)Se4 tetrahedra. In the second Zn site, Zn(2) is bonded to one Se(1) and three equivalent Se(2) atoms to form ZnSe4 tetrahedra that share  a cornercorner with one Cd(1)Se2S2 tetrahedra, corners with five equivalent Zn(1)Se3S tetrahedra, and corners with six equivalent Zn(2)Se4 tetrahedra. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1), one Zn(2), and two equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with four equivalent S(1)Zn2Cd2 tetrahedra, and corners with five equivalent Se(2)Zn4 tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SeZn4 tetrahedra that share  a cornercorner with one S(1)Zn2Cd2 tetrahedra, corners with five equivalent Se(1)Zn3Cd tetrahedra, and corners with six equivalent Se(2)Zn4 tetrahedra. S(1) is bonded to two equivalent Cd(1) and two equivalent Zn(1) atoms to form SZn2Cd2 tetrahedra that share corners with two equivalent Se(2)Zn4 tetrahedra, corners with two equivalent S(1)Zn2Cd2 tetrahedra, and corners with eight equivalent Se(1)Zn3Cd tetrahedra.
CdZn4Se4S is Stannite-like structured and crystallizes in the orthorhombic Imm2 space group. Cd(1) is bonded to two equivalent Se(1) and two equivalent S(1) atoms to form CdSe2S2 tetrahedra that share corners with two equivalent Cd(1)Se2S2 tetrahedra, corners with two equivalent Zn(2)Se4 tetrahedra, and corners with eight equivalent Zn(1)Se3S tetrahedra. Both Cd(1)-Se(1) bond lengths are 2.66 Å. Both Cd(1)-S(1) bond lengths are 2.57 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one Se(2), two equivalent Se(1), and one S(1) atom to form ZnSe3S tetrahedra that share corners with three equivalent Zn(1)Se3S tetrahedra, corners with four equivalent Cd(1)Se2S2 tetrahedra, and corners with five equivalent Zn(2)Se4 tetrahedra. The Zn(1)-Se(2) bond length is 2.50 Å. Both Zn(1)-Se(1) bond lengths are 2.49 Å. The Zn(1)-S(1) bond length is 2.36 Å. In the second Zn site, Zn(2) is bonded to one Se(1) and three equivalent Se(2) atoms to form ZnSe4 tetrahedra that share  a cornercorner with one Cd(1)Se2S2 tetrahedra, corners with five equivalent Zn(1)Se3S tetrahedra, and corners with six equivalent Zn(2)Se4 tetrahedra. The Zn(2)-Se(1) bond length is 2.49 Å. There are two shorter (2.49 Å) and one longer (2.51 Å) Zn(2)-Se(2) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Cd(1), one Zn(2), and two equivalent Zn(1) atoms to form SeZn3Cd tetrahedra that share corners with three equivalent Se(1)Zn3Cd tetrahedra, corners with four equivalent S(1)Zn2Cd2 tetrahedra, and corners with five equivalent Se(2)Zn4 tetrahedra. In the second Se site, Se(2) is bonded to one Zn(1) and three equivalent Zn(2) atoms to form SeZn4 tetrahedra that share  a cornercorner with one S(1)Zn2Cd2 tetrahedra, corners with five equivalent Se(1)Zn3Cd tetrahedra, and corners with six equivalent Se(2)Zn4 tetrahedra. S(1) is bonded to two equivalent Cd(1) and two equivalent Zn(1) atoms to form SZn2Cd2 tetrahedra that share corners with two equivalent Se(2)Zn4 tetrahedra, corners with two equivalent S(1)Zn2Cd2 tetrahedra, and corners with eight equivalent Se(1)Zn3Cd tetrahedra.