The material structure described by La2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(11), two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms. In the second La site, La(2) is bonded to one S(5), one S(6), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form distorted LaS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra,  a cornercorner with one Pb(1)S6 pentagonal pyramid, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent La(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted PbS6 pentagonal pyramids that share corners with two equivalent Sn(1)S6 octahedra,  a cornercorner with one La(2)S7 pentagonal bipyramid, corners with two equivalent Sn(3)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Pb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(10), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(12), 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(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form SnS6 octahedra that share corners with two equivalent Pb(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent La(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(10), one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SnS6 octahedra that share corners with two equivalent La(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, edges with two equivalent La(2)S7 pentagonal bipyramids, and edges with two equivalent Pb(1)S6 pentagonal pyramids. In the third Sn site, Sn(3) is bonded to one S(11), one S(12), one S(3), and two equivalent S(8) atoms to form SnS5 trigonal bipyramids that share corners with two equivalent Pb(1)S6 pentagonal pyramids and corners with two equivalent Sn(3)S5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent La(2), two equivalent Pb(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent Pb(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent Pb(3), and one Sn(3) atom. In the fourth S site, S(4) is bonded to one La(1), one Pb(1), and two equivalent Sn(1) atoms to form distorted SLaSn2Pb trigonal pyramids that share corners with two equivalent S(9)SnPb4 square pyramids,  a cornercorner with one S(6)LaSn2Pb trigonal pyramid, corners with two equivalent S(4)LaSn2Pb trigonal pyramids, corners with two equivalent S(5)LaSn2Pb trigonal pyramids, and  an edgeedge with one S(5)LaSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded to one La(2), one Pb(3), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SLaSn2Pb trigonal pyramids. In the sixth S site, S(6) is bonded to one La(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SLaSn2Pb trigonal pyramids that share  a cornercorner with one S(4)LaSn2Pb trigonal pyramid,  a cornercorner with one S(5)LaSn2Pb trigonal pyramid, corners with two equivalent S(6)LaSn2Pb trigonal pyramids, and edges with two equivalent S(9)SnPb4 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one La(2), one Pb(2), and two equivalent Sn(2) atoms. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to two equivalent La(1) and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)LaSn2Pb trigonal pyramids, edges with two equivalent S(9)SnPb4 square pyramids, and edges with two equivalent S(6)LaSn2Pb trigonal pyramids. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent La(2), two equivalent Pb(2), and one Sn(2) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Pb(1), and one Sn(3) atom. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom. is represented by the CIF card [CIF]
data_La2Sn3(PbS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.026
_cell_length_b   11.767
_cell_length_c   20.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.957
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.500  0.653  0.412  1.0
  La  La1  1  0.500  0.153  0.588  1.0
  La  La2  1  0.500  0.824  0.895  1.0
  La  La3  1  0.500  0.324  0.105  1.0
  Sn  Sn4  1  0.000  0.001  0.750  1.0
  Sn  Sn5  1  0.000  0.501  0.250  1.0
  Sn  Sn6  1  0.000  0.518  0.911  1.0
  Sn  Sn7  1  0.000  0.018  0.089  1.0
  Sn  Sn8  1  0.000  0.995  0.423  1.0
  Sn  Sn9  1  0.000  0.495  0.577  1.0
  Pb  Pb10  1  0.500  0.404  0.743  1.0
  Pb  Pb11  1  0.500  0.904  0.257  1.0
  Pb  Pb12  1  0.500  0.198  0.913  1.0
  Pb  Pb13  1  0.500  0.698  0.087  1.0
  Pb  Pb14  1  0.500  0.771  0.623  1.0
  Pb  Pb15  1  0.500  0.271  0.377  1.0
  S  S16  1  0.000  0.999  0.874  1.0
  S  S17  1  0.000  0.499  0.126  1.0
  S  S18  1  0.000  0.979  0.627  1.0
  S  S19  1  0.000  0.479  0.373  1.0
  S  S20  1  0.000  0.684  0.514  1.0
  S  S21  1  0.000  0.184  0.486  1.0
  S  S22  1  0.500  0.644  0.257  1.0
  S  S23  1  0.500  0.144  0.743  1.0
  S  S24  1  0.500  0.851  0.755  1.0
  S  S25  1  0.500  0.351  0.245  1.0
  S  S26  1  0.500  0.595  0.841  1.0
  S  S27  1  0.500  0.095  0.159  1.0
  S  S28  1  0.500  0.442  0.981  1.0
  S  S29  1  0.500  0.942  0.019  1.0
  S  S30  1  0.500  0.933  0.486  1.0
  S  S31  1  0.500  0.433  0.514  1.0
  S  S32  1  0.000  0.338  0.843  1.0
  S  S33  1  0.000  0.838  0.157  1.0
  S  S34  1  0.000  0.707  0.973  1.0
  S  S35  1  0.000  0.207  0.027  1.0
  S  S36  1  0.000  0.810  0.356  1.0
  S  S37  1  0.000  0.310  0.644  1.0
  S  S38  1  0.000  0.602  0.678  1.0
  S  S39  1  0.000  0.102  0.322  1.0
[/CIF]
.
The material structure described by La2Sn3(PbS4)3 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one S(4), two equivalent S(11), two equivalent S(2), two equivalent S(3), and two equivalent S(8) atoms. In the second La site, La(2) is bonded to one S(5), one S(6), one S(7), two equivalent S(1), and two equivalent S(10) atoms to form distorted LaS7 pentagonal bipyramids that share corners with two equivalent Sn(2)S6 octahedra,  a cornercorner with one Pb(1)S6 pentagonal pyramid, edges with two equivalent Sn(1)S6 octahedra, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent La(2)S7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one S(4), one S(6), two equivalent S(11), and two equivalent S(9) atoms to form distorted PbS6 pentagonal pyramids that share corners with two equivalent Sn(1)S6 octahedra,  a cornercorner with one La(2)S7 pentagonal bipyramid, corners with two equivalent Sn(3)S5 trigonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, and edges with two equivalent Pb(1)S6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. In the second Pb site, Pb(2) is bonded in a 7-coordinate geometry to one S(7), two equivalent S(1), two equivalent S(10), and two equivalent S(9) atoms. In the third Pb site, Pb(3) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(12), 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(1), one S(2), two equivalent S(4), and two equivalent S(5) atoms to form SnS6 octahedra that share corners with two equivalent Pb(1)S6 pentagonal pyramids, edges with two equivalent Sn(1)S6 octahedra, and edges with two equivalent La(2)S7 pentagonal bipyramids. In the second Sn site, Sn(2) is bonded to one S(10), one S(9), two equivalent S(6), and two equivalent S(7) atoms to form SnS6 octahedra that share corners with two equivalent La(2)S7 pentagonal bipyramids, edges with two equivalent Sn(2)S6 octahedra, edges with two equivalent La(2)S7 pentagonal bipyramids, and edges with two equivalent Pb(1)S6 pentagonal pyramids. In the third Sn site, Sn(3) is bonded to one S(11), one S(12), one S(3), and two equivalent S(8) atoms to form SnS5 trigonal bipyramids that share corners with two equivalent Pb(1)S6 pentagonal pyramids and corners with two equivalent Sn(3)S5 trigonal bipyramids. There are twelve inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent La(2), two equivalent Pb(2), and one Sn(1) atom. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent Pb(3), and one Sn(1) atom. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent La(1), two equivalent Pb(3), and one Sn(3) atom. In the fourth S site, S(4) is bonded to one La(1), one Pb(1), and two equivalent Sn(1) atoms to form distorted SLaSn2Pb trigonal pyramids that share corners with two equivalent S(9)SnPb4 square pyramids,  a cornercorner with one S(6)LaSn2Pb trigonal pyramid, corners with two equivalent S(4)LaSn2Pb trigonal pyramids, corners with two equivalent S(5)LaSn2Pb trigonal pyramids, and  an edgeedge with one S(5)LaSn2Pb trigonal pyramid. In the fifth S site, S(5) is bonded to one La(2), one Pb(3), and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing SLaSn2Pb trigonal pyramids. In the sixth S site, S(6) is bonded to one La(2), one Pb(1), and two equivalent Sn(2) atoms to form distorted SLaSn2Pb trigonal pyramids that share  a cornercorner with one S(4)LaSn2Pb trigonal pyramid,  a cornercorner with one S(5)LaSn2Pb trigonal pyramid, corners with two equivalent S(6)LaSn2Pb trigonal pyramids, and edges with two equivalent S(9)SnPb4 square pyramids. In the seventh S site, S(7) is bonded in a 3-coordinate geometry to one La(2), one Pb(2), and two equivalent Sn(2) atoms. In the eighth S site, S(8) is bonded in a 2-coordinate geometry to two equivalent La(1) and two equivalent Sn(3) atoms. In the ninth S site, S(9) is bonded to two equivalent Pb(1), two equivalent Pb(2), and one Sn(2) atom to form distorted SSnPb4 square pyramids that share corners with two equivalent S(4)LaSn2Pb trigonal pyramids, edges with two equivalent S(9)SnPb4 square pyramids, and edges with two equivalent S(6)LaSn2Pb trigonal pyramids. In the tenth S site, S(10) is bonded in a 5-coordinate geometry to two equivalent La(2), two equivalent Pb(2), and one Sn(2) atom. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Pb(1), and one Sn(3) atom. In the twelfth S site, S(12) is bonded in a distorted single-bond geometry to two equivalent Pb(3) and one Sn(3) atom. is represented by the CIF card [CIF]
data_La2Sn3(PbS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.026
_cell_length_b   11.767
_cell_length_c   20.710
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   980.957
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  1  0.500  0.653  0.412  1.0
  La  La1  1  0.500  0.153  0.588  1.0
  La  La2  1  0.500  0.824  0.895  1.0
  La  La3  1  0.500  0.324  0.105  1.0
  Sn  Sn4  1  0.000  0.001  0.750  1.0
  Sn  Sn5  1  0.000  0.501  0.250  1.0
  Sn  Sn6  1  0.000  0.518  0.911  1.0
  Sn  Sn7  1  0.000  0.018  0.089  1.0
  Sn  Sn8  1  0.000  0.995  0.423  1.0
  Sn  Sn9  1  0.000  0.495  0.577  1.0
  Pb  Pb10  1  0.500  0.404  0.743  1.0
  Pb  Pb11  1  0.500  0.904  0.257  1.0
  Pb  Pb12  1  0.500  0.198  0.913  1.0
  Pb  Pb13  1  0.500  0.698  0.087  1.0
  Pb  Pb14  1  0.500  0.771  0.623  1.0
  Pb  Pb15  1  0.500  0.271  0.377  1.0
  S  S16  1  0.000  0.999  0.874  1.0
  S  S17  1  0.000  0.499  0.126  1.0
  S  S18  1  0.000  0.979  0.627  1.0
  S  S19  1  0.000  0.479  0.373  1.0
  S  S20  1  0.000  0.684  0.514  1.0
  S  S21  1  0.000  0.184  0.486  1.0
  S  S22  1  0.500  0.644  0.257  1.0
  S  S23  1  0.500  0.144  0.743  1.0
  S  S24  1  0.500  0.851  0.755  1.0
  S  S25  1  0.500  0.351  0.245  1.0
  S  S26  1  0.500  0.595  0.841  1.0
  S  S27  1  0.500  0.095  0.159  1.0
  S  S28  1  0.500  0.442  0.981  1.0
  S  S29  1  0.500  0.942  0.019  1.0
  S  S30  1  0.500  0.933  0.486  1.0
  S  S31  1  0.500  0.433  0.514  1.0
  S  S32  1  0.000  0.338  0.843  1.0
  S  S33  1  0.000  0.838  0.157  1.0
  S  S34  1  0.000  0.707  0.973  1.0
  S  S35  1  0.000  0.207  0.027  1.0
  S  S36  1  0.000  0.810  0.356  1.0
  S  S37  1  0.000  0.310  0.644  1.0
  S  S38  1  0.000  0.602  0.678  1.0
  S  S39  1  0.000  0.102  0.322  1.0
[/CIF]
.