Cs2SnTe4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent Te(2), three equivalent Te(1), and four equivalent Te(3) atoms. Sn(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form SnTe4 tetrahedra that share corners with two equivalent Te(3)Cs4SnTe pentagonal pyramids. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Cs(1), one Sn(1), and one Te(2) atom. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to four equivalent Cs(1), one Sn(1), and one Te(1) atom. In the third Te site, Te(3) is bonded to four equivalent Cs(1), one Sn(1), and one Te(3) atom to form distorted TeCs4SnTe pentagonal pyramids that share corners with five equivalent Te(3)Cs4SnTe pentagonal pyramids,  a cornercorner with one Sn(1)Te4 tetrahedra, and edges with four equivalent Te(3)Cs4SnTe pentagonal pyramids.
Cs2SnTe4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 9-coordinate geometry to two equivalent Te(2), three equivalent Te(1), and four equivalent Te(3) atoms. There is one shorter (4.00 Å) and one longer (4.02 Å) Cs(1)-Te(2) bond length. There is one shorter (4.21 Å) and two longer (4.25 Å) Cs(1)-Te(1) bond lengths. There are a spread of Cs(1)-Te(3) bond distances ranging from 3.93-4.14 Å. Sn(1) is bonded to one Te(1), one Te(2), and two equivalent Te(3) atoms to form SnTe4 tetrahedra that share corners with two equivalent Te(3)Cs4SnTe pentagonal pyramids. The Sn(1)-Te(1) bond length is 2.79 Å. The Sn(1)-Te(2) bond length is 2.83 Å. Both Sn(1)-Te(3) bond lengths are 2.88 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Cs(1), one Sn(1), and one Te(2) atom. The Te(1)-Te(2) bond length is 3.43 Å. In the second Te site, Te(2) is bonded in a 5-coordinate geometry to four equivalent Cs(1), one Sn(1), and one Te(1) atom. In the third Te site, Te(3) is bonded to four equivalent Cs(1), one Sn(1), and one Te(3) atom to form distorted TeCs4SnTe pentagonal pyramids that share corners with five equivalent Te(3)Cs4SnTe pentagonal pyramids,  a cornercorner with one Sn(1)Te4 tetrahedra, and edges with four equivalent Te(3)Cs4SnTe pentagonal pyramids. The Te(3)-Te(3) bond length is 2.88 Å.