Pd13Cu3S7 crystallizes in the trigonal R3m space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to one S(1) and one S(2) atom. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Cu(1), one S(1), and one S(3) atom. In the third Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Cu(1), one S(1), and one S(3) atom. In the fourth Pd site, Pd(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(3) atoms. Cu(1) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(3), one S(2), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pd(1), one Pd(2), and two equivalent Pd(3) atoms to form distorted SPd4 trigonal pyramids that share  a cornercorner with one S(2)Cu3Pd3 pentagonal pyramid and corners with three equivalent S(3)Cu2Pd4 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Pd(1) and three equivalent Cu(1) atoms to form distorted SCu3Pd3 pentagonal pyramids that share corners with three equivalent S(1)Pd4 trigonal pyramids and edges with three equivalent S(3)Cu2Pd4 pentagonal pyramids. In the third S site, S(3) is bonded to one Pd(2), one Pd(4), two equivalent Pd(3), and two equivalent Cu(1) atoms to form distorted SCu2Pd4 pentagonal pyramids that share corners with three equivalent S(1)Pd4 trigonal pyramids,  an edgeedge with one S(2)Cu3Pd3 pentagonal pyramid, and edges with two equivalent S(3)Cu2Pd4 pentagonal pyramids.
Pd13Cu3S7 crystallizes in the trigonal R3m space group. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a linear geometry to one S(1) and one S(2) atom. The Pd(1)-S(1) bond length is 2.28 Å. The Pd(1)-S(2) bond length is 2.37 Å. In the second Pd site, Pd(2) is bonded in a 3-coordinate geometry to one Cu(1), one S(1), and one S(3) atom. The Pd(2)-Cu(1) bond length is 2.75 Å. The Pd(2)-S(1) bond length is 2.29 Å. The Pd(2)-S(3) bond length is 2.35 Å. In the third Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Cu(1), one S(1), and one S(3) atom. The Pd(3)-Cu(1) bond length is 2.75 Å. The Pd(3)-S(1) bond length is 2.30 Å. The Pd(3)-S(3) bond length is 2.35 Å. In the fourth Pd site, Pd(4) is bonded in a distorted trigonal non-coplanar geometry to three equivalent S(3) atoms. All Pd(4)-S(3) bond lengths are 2.45 Å. Cu(1) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(3), one S(2), and two equivalent S(3) atoms. The Cu(1)-S(2) bond length is 2.44 Å. Both Cu(1)-S(3) bond lengths are 2.44 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Pd(1), one Pd(2), and two equivalent Pd(3) atoms to form distorted SPd4 trigonal pyramids that share  a cornercorner with one S(2)Cu3Pd3 pentagonal pyramid and corners with three equivalent S(3)Cu2Pd4 pentagonal pyramids. In the second S site, S(2) is bonded to three equivalent Pd(1) and three equivalent Cu(1) atoms to form distorted SCu3Pd3 pentagonal pyramids that share corners with three equivalent S(1)Pd4 trigonal pyramids and edges with three equivalent S(3)Cu2Pd4 pentagonal pyramids. In the third S site, S(3) is bonded to one Pd(2), one Pd(4), two equivalent Pd(3), and two equivalent Cu(1) atoms to form distorted SCu2Pd4 pentagonal pyramids that share corners with three equivalent S(1)Pd4 trigonal pyramids,  an edgeedge with one S(2)Cu3Pd3 pentagonal pyramid, and edges with two equivalent S(3)Cu2Pd4 pentagonal pyramids.