Pd17In4Se4 crystallizes in the tetragonal I4/m space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to one Pd(4), three equivalent In(1), and one Se(1) atom. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to two equivalent Pd(4), two equivalent In(1), and two equivalent Se(1) atoms. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Pd(4), two equivalent In(1), and three equivalent Se(1) atoms. In the fourth Pd site, Pd(4) is bonded to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), and four equivalent In(1) atoms to form distorted PdIn4Pd8 cuboctahedra that share  a cornercorner with one In(1)Pd12 cuboctahedra, corners with two equivalent Pd(4)In4Pd8 cuboctahedra, edges with four equivalent Pd(4)In4Pd8 cuboctahedra, edges with four equivalent In(1)Pd12 cuboctahedra, faces with two equivalent Pd(5)In4Pd8 cuboctahedra, faces with four equivalent In(1)Pd12 cuboctahedra, and faces with five equivalent Pd(4)In4Pd8 cuboctahedra. In the fifth Pd site, Pd(5) is bonded to eight equivalent Pd(4) and four equivalent In(1) atoms to form PdIn4Pd8 cuboctahedra that share edges with eight equivalent In(1)Pd12 cuboctahedra, faces with two equivalent Pd(5)In4Pd8 cuboctahedra, faces with four equivalent In(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(4)In4Pd8 cuboctahedra. In(1) is bonded to one Pd(5), two equivalent Pd(2), two equivalent Pd(3), three equivalent Pd(1), and four equivalent Pd(4) atoms to form InPd12 cuboctahedra that share  a cornercorner with one Pd(4)In4Pd8 cuboctahedra, corners with five equivalent In(1)Pd12 cuboctahedra, edges with two equivalent Pd(5)In4Pd8 cuboctahedra, edges with two equivalent In(1)Pd12 cuboctahedra, edges with four equivalent Pd(4)In4Pd8 cuboctahedra,  a faceface with one Pd(5)In4Pd8 cuboctahedra, faces with four equivalent Pd(4)In4Pd8 cuboctahedra, and faces with four equivalent In(1)Pd12 cuboctahedra. Se(1) is bonded in a 6-coordinate geometry to one Pd(1), two equivalent Pd(2), and three equivalent Pd(3) atoms.
Pd17In4Se4 crystallizes in the tetragonal I4/m space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 1-coordinate geometry to one Pd(4), three equivalent In(1), and one Se(1) atom. The Pd(1)-Pd(4) bond length is 2.92 Å. There are two shorter (2.85 Å) and one longer (2.96 Å) Pd(1)-In(1) bond length. The Pd(1)-Se(1) bond length is 2.46 Å. In the second Pd site, Pd(2) is bonded in a 4-coordinate geometry to two equivalent Pd(4), two equivalent In(1), and two equivalent Se(1) atoms. Both Pd(2)-Pd(4) bond lengths are 2.85 Å. Both Pd(2)-In(1) bond lengths are 2.85 Å. Both Pd(2)-Se(1) bond lengths are 2.56 Å. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Pd(4), two equivalent In(1), and three equivalent Se(1) atoms. The Pd(3)-Pd(4) bond length is 2.92 Å. Both Pd(3)-In(1) bond lengths are 2.90 Å. There is one shorter (2.61 Å) and two longer (2.78 Å) Pd(3)-Se(1) bond lengths. In the fourth Pd site, Pd(4) is bonded to one Pd(1), one Pd(3), two equivalent Pd(2), two equivalent Pd(4), two equivalent Pd(5), and four equivalent In(1) atoms to form distorted PdIn4Pd8 cuboctahedra that share  a cornercorner with one In(1)Pd12 cuboctahedra, corners with two equivalent Pd(4)In4Pd8 cuboctahedra, edges with four equivalent Pd(4)In4Pd8 cuboctahedra, edges with four equivalent In(1)Pd12 cuboctahedra, faces with two equivalent Pd(5)In4Pd8 cuboctahedra, faces with four equivalent In(1)Pd12 cuboctahedra, and faces with five equivalent Pd(4)In4Pd8 cuboctahedra. Both Pd(4)-Pd(4) bond lengths are 2.85 Å. Both Pd(4)-Pd(5) bond lengths are 2.85 Å. There are two shorter (2.86 Å) and two longer (2.89 Å) Pd(4)-In(1) bond lengths. In the fifth Pd site, Pd(5) is bonded to eight equivalent Pd(4) and four equivalent In(1) atoms to form PdIn4Pd8 cuboctahedra that share edges with eight equivalent In(1)Pd12 cuboctahedra, faces with two equivalent Pd(5)In4Pd8 cuboctahedra, faces with four equivalent In(1)Pd12 cuboctahedra, and faces with eight equivalent Pd(4)In4Pd8 cuboctahedra. All Pd(5)-In(1) bond lengths are 2.90 Å. In(1) is bonded to one Pd(5), two equivalent Pd(2), two equivalent Pd(3), three equivalent Pd(1), and four equivalent Pd(4) atoms to form InPd12 cuboctahedra that share  a cornercorner with one Pd(4)In4Pd8 cuboctahedra, corners with five equivalent In(1)Pd12 cuboctahedra, edges with two equivalent Pd(5)In4Pd8 cuboctahedra, edges with two equivalent In(1)Pd12 cuboctahedra, edges with four equivalent Pd(4)In4Pd8 cuboctahedra,  a faceface with one Pd(5)In4Pd8 cuboctahedra, faces with four equivalent Pd(4)In4Pd8 cuboctahedra, and faces with four equivalent In(1)Pd12 cuboctahedra. Se(1) is bonded in a 6-coordinate geometry to one Pd(1), two equivalent Pd(2), and three equivalent Pd(3) atoms.