Sb3PbAgS6 crystallizes in the orthorhombic Cmc2_1 space group. Ag(1) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(5) atoms to form AgS6 octahedra that share  a cornercorner with one Sb(3)S5 square pyramid, corners with two equivalent Sb(1)S5 square pyramids, corners with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. Pb(1) is bonded in a 6-coordinate geometry to one S(4), one S(5), two equivalent S(1), and two equivalent S(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(1), two equivalent S(5), and two equivalent S(6) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Sb(2)S5 square pyramids, edges with three equivalent Ag(1)S6 octahedra,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 12°. In the second Sb site, Sb(2) is bonded to one S(2), two equivalent S(4), and two equivalent S(6) atoms to form SbS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Sb(1)S5 square pyramids, corners with four equivalent Sb(3)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid,  an edgeedge with one Sb(3)S5 square pyramid, and edges with two equivalent Sb(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 80°. In the third Sb site, Sb(3) is bonded to one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted SbS5 square pyramids that share  a cornercorner with one Ag(1)S6 octahedra, corners with four equivalent Sb(2)S5 square pyramids,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and one Sb(1) atom to form distorted SAg2SbPb2 square pyramids that share corners with four equivalent S(3)AgSbPb2 tetrahedra, edges with two equivalent S(1)Ag2SbPb2 square pyramids, and  an edgeedge with one S(3)AgSbPb2 tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Sb(2) and two equivalent Sb(3) atoms. In the third S site, S(3) is bonded to one Ag(1), two equivalent Pb(1), and one Sb(3) atom to form distorted SAgSbPb2 tetrahedra that share corners with four equivalent S(1)Ag2SbPb2 square pyramids, corners with two equivalent S(3)AgSbPb2 tetrahedra, and  an edgeedge with one S(1)Ag2SbPb2 square pyramid. In the fourth S site, S(4) is bonded in a distorted square co-planar geometry to one Pb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Ag(1), one Pb(1), and two equivalent Sb(1) atoms. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ag(1), two equivalent Sb(1), and two equivalent Sb(2) atoms.
Sb3PbAgS6 crystallizes in the orthorhombic Cmc2_1 space group. Ag(1) is bonded to one S(3), one S(6), two equivalent S(1), and two equivalent S(5) atoms to form AgS6 octahedra that share  a cornercorner with one Sb(3)S5 square pyramid, corners with two equivalent Sb(1)S5 square pyramids, corners with two equivalent Sb(2)S5 square pyramids, edges with two equivalent Ag(1)S6 octahedra, and edges with three equivalent Sb(1)S5 square pyramids. The Ag(1)-S(3) bond length is 2.55 Å. The Ag(1)-S(6) bond length is 2.60 Å. Both Ag(1)-S(1) bond lengths are 2.76 Å. Both Ag(1)-S(5) bond lengths are 3.08 Å. Pb(1) is bonded in a 6-coordinate geometry to one S(4), one S(5), two equivalent S(1), and two equivalent S(3) atoms. The Pb(1)-S(4) bond length is 3.24 Å. The Pb(1)-S(5) bond length is 3.03 Å. Both Pb(1)-S(1) bond lengths are 3.07 Å. Both Pb(1)-S(3) bond lengths are 2.90 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one S(1), two equivalent S(5), and two equivalent S(6) atoms to form distorted SbS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Sb(2)S5 square pyramids, edges with three equivalent Ag(1)S6 octahedra,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(1)S5 square pyramids. The corner-sharing octahedral tilt angles are 12°. The Sb(1)-S(1) bond length is 2.43 Å. Both Sb(1)-S(5) bond lengths are 2.61 Å. Both Sb(1)-S(6) bond lengths are 3.12 Å. In the second Sb site, Sb(2) is bonded to one S(2), two equivalent S(4), and two equivalent S(6) atoms to form SbS5 square pyramids that share corners with two equivalent Ag(1)S6 octahedra, corners with two equivalent Sb(1)S5 square pyramids, corners with four equivalent Sb(3)S5 square pyramids,  an edgeedge with one Sb(1)S5 square pyramid,  an edgeedge with one Sb(3)S5 square pyramid, and edges with two equivalent Sb(2)S5 square pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb(2)-S(2) bond length is 2.55 Å. Both Sb(2)-S(4) bond lengths are 2.82 Å. Both Sb(2)-S(6) bond lengths are 2.71 Å. In the third Sb site, Sb(3) is bonded to one S(3), two equivalent S(2), and two equivalent S(4) atoms to form distorted SbS5 square pyramids that share  a cornercorner with one Ag(1)S6 octahedra, corners with four equivalent Sb(2)S5 square pyramids,  an edgeedge with one Sb(2)S5 square pyramid, and edges with two equivalent Sb(3)S5 square pyramids. The corner-sharing octahedral tilt angles are 48°. The Sb(3)-S(3) bond length is 2.47 Å. Both Sb(3)-S(2) bond lengths are 2.73 Å. Both Sb(3)-S(4) bond lengths are 2.87 Å. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ag(1), two equivalent Pb(1), and one Sb(1) atom to form distorted SAg2SbPb2 square pyramids that share corners with four equivalent S(3)AgSbPb2 tetrahedra, edges with two equivalent S(1)Ag2SbPb2 square pyramids, and  an edgeedge with one S(3)AgSbPb2 tetrahedra. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Sb(2) and two equivalent Sb(3) atoms. In the third S site, S(3) is bonded to one Ag(1), two equivalent Pb(1), and one Sb(3) atom to form distorted SAgSbPb2 tetrahedra that share corners with four equivalent S(1)Ag2SbPb2 square pyramids, corners with two equivalent S(3)AgSbPb2 tetrahedra, and  an edgeedge with one S(1)Ag2SbPb2 square pyramid. In the fourth S site, S(4) is bonded in a distorted square co-planar geometry to one Pb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to two equivalent Ag(1), one Pb(1), and two equivalent Sb(1) atoms. In the sixth S site, S(6) is bonded in a 3-coordinate geometry to one Ag(1), two equivalent Sb(1), and two equivalent Sb(2) atoms.