Ho2Pb3Sn3S12 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(11), one S(4), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to one S(12), one S(8), two equivalent S(1), two equivalent S(10), and two equivalent S(3) atoms. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one S(12), one S(4), two equivalent S(1), and two equivalent S(7) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one S(6), two equivalent S(7), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to one S(11), one S(8), two equivalent S(10), two equivalent S(2), and two equivalent S(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(7), one S(9), two equivalent S(4), and two equivalent S(6) atoms to form SnS6 octahedra that share corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(3), one S(5), two equivalent S(11), and two equivalent S(12) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Ho(1)S7 pentagonal bipyramids. In the third Sn site, Sn(3) is bonded to one S(1), one S(10), one S(2), and two equivalent S(8) atoms to form corner-sharing SnS5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ho(2), two equivalent Pb(1), and one Sn(3) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Ho(2), two equivalent Pb(3), and one Sn(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ho(1), one Pb(1), and two equivalent Sn(1) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Ho(1) and one Sn(2) atom. In the sixth S site, S(6) is bonded to one Ho(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SHoSn2Pb trigonal pyramids that share  a cornercorner with one S(11)HoSn2Pb trigonal pyramid, corners with two equivalent S(6)HoSn2Pb trigonal pyramids, and edges with two equivalent S(7)SnPb4 square pyramids. In the seventh S site, S(7) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(1) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(12)HoSn2Pb trigonal pyramids, edges with two equivalent S(7)SnPb4 square pyramids, and edges with two equivalent S(6)HoSn2Pb trigonal pyramids. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Ho(2), one Pb(3), and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to two equivalent Ho(1), two equivalent Pb(2), and one Sn(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to two equivalent Ho(2), two equivalent Pb(3), and one Sn(3) atom. In the eleventh S site, S(11) is bonded to one Ho(1), one Pb(3), and two equivalent Sn(2) atoms to form a mixture of distorted edge and corner-sharing SHoSn2Pb trigonal pyramids. In the twelfth S site, S(12) is bonded to one Ho(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SHoSn2Pb trigonal pyramids that share corners with two equivalent S(7)SnPb4 square pyramids, corners with two equivalent S(11)HoSn2Pb trigonal pyramids, corners with two equivalent S(12)HoSn2Pb trigonal pyramids, and  an edgeedge with one S(11)HoSn2Pb trigonal pyramid.
Ho2Pb3Sn3S12 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to one S(11), one S(4), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form distorted HoS7 pentagonal bipyramids that share corners with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. The Ho(1)-S(11) bond length is 2.81 Å. The Ho(1)-S(4) bond length is 2.82 Å. The Ho(1)-S(6) bond length is 2.84 Å. Both Ho(1)-S(5) bond lengths are 2.77 Å. Both Ho(1)-S(9) bond lengths are 2.81 Å. In the second Ho site, Ho(2) is bonded in a 8-coordinate geometry to one S(12), one S(8), two equivalent S(1), two equivalent S(10), and two equivalent S(3) atoms. The Ho(2)-S(12) bond length is 3.08 Å. The Ho(2)-S(8) bond length is 3.03 Å. Both Ho(2)-S(1) bond lengths are 2.89 Å. Both Ho(2)-S(10) bond lengths are 2.82 Å. Both Ho(2)-S(3) bond lengths are 2.84 Å. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one S(12), one S(4), two equivalent S(1), and two equivalent S(7) atoms. The Pb(1)-S(12) bond length is 3.00 Å. The Pb(1)-S(4) bond length is 3.09 Å. Both Pb(1)-S(1) bond lengths are 3.10 Å. Both Pb(1)-S(7) bond lengths are 2.97 Å. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one S(6), two equivalent S(7), and two equivalent S(9) atoms. The Pb(2)-S(6) bond length is 3.02 Å. Both Pb(2)-S(7) bond lengths are 2.93 Å. Both Pb(2)-S(9) bond lengths are 3.09 Å. In the third Pb site, Pb(3) is bonded in a 8-coordinate geometry to one S(11), one S(8), two equivalent S(10), two equivalent S(2), and two equivalent S(3) atoms. The Pb(3)-S(11) bond length is 2.91 Å. The Pb(3)-S(8) bond length is 3.23 Å. Both Pb(3)-S(10) bond lengths are 3.20 Å. Both Pb(3)-S(2) bond lengths are 3.02 Å. Both Pb(3)-S(3) bond lengths are 3.16 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one S(7), one S(9), two equivalent S(4), and two equivalent S(6) atoms to form SnS6 octahedra that share corners with two equivalent Ho(1)S7 pentagonal bipyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The Sn(1)-S(7) bond length is 2.54 Å. The Sn(1)-S(9) bond length is 2.55 Å. Both Sn(1)-S(4) bond lengths are 2.62 Å. Both Sn(1)-S(6) bond lengths are 2.63 Å. In the second Sn site, Sn(2) is bonded to one S(3), one S(5), two equivalent S(11), and two equivalent S(12) atoms to form SnS6 octahedra that share edges with two equivalent Sn(2)S6 octahedra and edges with two equivalent Ho(1)S7 pentagonal bipyramids. The Sn(2)-S(3) bond length is 2.54 Å. The Sn(2)-S(5) bond length is 2.56 Å. Both Sn(2)-S(11) bond lengths are 2.65 Å. Both Sn(2)-S(12) bond lengths are 2.60 Å. In the third Sn site, Sn(3) is bonded to one S(1), one S(10), one S(2), and two equivalent S(8) atoms to form corner-sharing SnS5 trigonal bipyramids. The Sn(3)-S(1) bond length is 2.58 Å. The Sn(3)-S(10) bond length is 2.57 Å. The Sn(3)-S(2) bond length is 2.45 Å. Both Sn(3)-S(8) bond lengths are 2.48 Å. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ho(2), two equivalent Pb(1), and one Sn(3) atom. In the second S site, S(2) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Ho(2), two equivalent Pb(3), and one Sn(2) atom. In the fourth S site, S(4) is bonded in a 4-coordinate geometry to one Ho(1), one Pb(1), and two equivalent Sn(1) atoms. In the fifth S site, S(5) is bonded in a 3-coordinate geometry to two equivalent Ho(1) and one Sn(2) atom. In the sixth S site, S(6) is bonded to one Ho(1), one Pb(2), and two equivalent Sn(1) atoms to form distorted SHoSn2Pb trigonal pyramids that share  a cornercorner with one S(11)HoSn2Pb trigonal pyramid, corners with two equivalent S(6)HoSn2Pb trigonal pyramids, and edges with two equivalent S(7)SnPb4 square pyramids. In the seventh S site, S(7) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(1) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(12)HoSn2Pb trigonal pyramids, edges with two equivalent S(7)SnPb4 square pyramids, and edges with two equivalent S(6)HoSn2Pb trigonal pyramids. In the eighth S site, S(8) is bonded in a 3-coordinate geometry to one Ho(2), one Pb(3), and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to two equivalent Ho(1), two equivalent Pb(2), and one Sn(1) atom. In the tenth S site, S(10) is bonded in a 3-coordinate geometry to two equivalent Ho(2), two equivalent Pb(3), and one Sn(3) atom. In the eleventh S site, S(11) is bonded to one Ho(1), one Pb(3), and two equivalent Sn(2) atoms to form a mixture of distorted edge and corner-sharing SHoSn2Pb trigonal pyramids. In the twelfth S site, S(12) is bonded to one Ho(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SHoSn2Pb trigonal pyramids that share corners with two equivalent S(7)SnPb4 square pyramids, corners with two equivalent S(11)HoSn2Pb trigonal pyramids, corners with two equivalent S(12)HoSn2Pb trigonal pyramids, and  an edgeedge with one S(11)HoSn2Pb trigonal pyramid.