The crystal structure described by La12SnSi4S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(14), one S(15), one S(17), one S(21), one S(27), one S(4), one S(5), and one S(6) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(13), one S(16), one S(18), one S(22), one S(28), one S(3), one S(5), and one S(6) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(17), one S(19), one S(24), one S(4), one S(7), and one S(8) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(18), one S(20), one S(23), one S(3), one S(7), and one S(8) atom. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(14), one S(19), one S(21), one S(26), one S(4), and one S(9) atom. In the sixth La site, La(6) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(13), one S(20), one S(22), one S(25), one S(3), and one S(9) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(2), one S(21), one S(24), one S(28), one S(8), and one S(9) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(11), one S(12), one S(22), one S(23), one S(27), and one S(7) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(14), one S(18), one S(2), one S(24), one S(26), and one S(6) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(14), one S(17), one S(23), one S(25), one S(5), and one S(9) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one S(15), one S(16), one S(2), one S(20), one S(26), one S(28), one S(5), and one S(8) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one S(1), one S(15), one S(16), one S(19), one S(25), one S(27), one S(6), and one S(7) atom. Sn(1) is bonded in an octahedral geometry to one S(10), one S(11), one S(14), one S(15), one S(6), and one S(7) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(2), one S(23), one S(25), and one S(27) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(1), one S(24), one S(26), and one S(28) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(17), one S(19), one S(21), and one S(3) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(18), one S(20), one S(22), and one S(4) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one La(10), one La(12), one La(8), and one Si(2) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid, corners with two equivalent S(7)La4Sn trigonal bipyramids,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, and  a cornercorner with one S(13)La4 trigonal pyramid. In the second S site, S(2) is bonded to one La(11), one La(7), one La(9), and one Si(1) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid, and  an edgeedge with one S(28)La3Si trigonal pyramid. In the third S site, S(3) is bonded to one La(2), one La(4), one La(6), and one Si(3) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(20)La3Si trigonal pyramid, and  an edgeedge with one S(22)La3Si trigonal pyramid. In the fourth S site, S(4) is bonded to one La(1), one La(3), one La(5), and one Si(4) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid, corners with two equivalent S(14)La4Sn trigonal bipyramids,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid, and  an edgeedge with one S(17)La3Si trigonal pyramid. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to one La(1), one La(10), one La(11), and one La(2) atom. In the sixth S site, S(6) is bonded to one La(1), one La(12), one La(2), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(10)La4Sn trigonal bipyramid,  an edgeedge with one S(7)La4Sn trigonal bipyramid,  an edgeedge with one S(13)La4 trigonal pyramid,  a faceface with one S(14)La4Sn trigonal bipyramid, and  a faceface with one S(15)La4Sn trigonal bipyramid. In the seventh S site, S(7) is bonded to one La(12), one La(3), one La(4), one La(8), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra, corners with two equivalent S(1)La3Si tetrahedra,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  an edgeedge with one S(10)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  a faceface with one S(11)La4Sn trigonal bipyramid, and  a faceface with one S(15)La4Sn trigonal bipyramid. In the eighth S site, S(8) is bonded in a distorted square co-planar geometry to one La(11), one La(3), one La(4), and one La(7) atom. In the ninth S site, S(9) is bonded in a distorted square co-planar geometry to one La(10), one La(5), one La(6), and one La(7) atom. In the tenth S site, S(10) is bonded to one La(5), one La(6), one La(8), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(7)La4Sn trigonal bipyramid,  an edgeedge with one S(22)La3Si trigonal pyramid,  an edgeedge with one S(13)La4 trigonal pyramid,  a faceface with one S(11)La4Sn trigonal bipyramid, and  a faceface with one S(14)La4Sn trigonal bipyramid. In the eleventh S site, S(11) is bonded to one La(4), one La(5), one La(7), one La(8), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(14)La4Sn trigonal bipyramid,  an edgeedge with one S(15)La4Sn trigonal bipyramid,  a faceface with one S(10)La4Sn trigonal bipyramid, and  a faceface with one S(7)La4Sn trigonal bipyramid. In the twelfth S site, S(12) is bonded in a distorted square co-planar geometry to one La(3), one La(6), one La(7), and one La(8) atom. In the thirteenth S site, S(13) is bonded to one La(10), one La(2), one La(6), and one La(9) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra, corners with two equivalent S(3)La3Si tetrahedra, corners with two equivalent S(14)La4Sn trigonal bipyramids,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(22)La3Si trigonal pyramids,  an edgeedge with one S(10)La4Sn trigonal bipyramid, and  an edgeedge with one S(6)La4Sn trigonal bipyramid. In the fourteenth S site, S(14) is bonded to one La(1), one La(10), one La(5), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra, corners with two equivalent S(4)La3Si tetrahedra,  a cornercorner with one S(7)La4Sn trigonal bipyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(11)La4Sn trigonal bipyramid,  an edgeedge with one S(15)La4Sn trigonal bipyramid,  an edgeedge with one S(17)La3Si trigonal pyramid,  a faceface with one S(10)La4Sn trigonal bipyramid, and  a faceface with one S(6)La4Sn trigonal bipyramid. In the fifteenth S site, S(15) is bonded to one La(1), one La(11), one La(12), one La(4), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(11)La4Sn trigonal bipyramid,  an edgeedge with one S(14)La4Sn trigonal bipyramid,  an edgeedge with one S(20)La3Si trigonal pyramid,  a faceface with one S(6)La4Sn trigonal bipyramid, and  a faceface with one S(7)La4Sn trigonal bipyramid. In the sixteenth S site, S(16) is bonded in a distorted square co-planar geometry to one La(11), one La(12), one La(2), and one La(3) atom. In the seventeenth S site, S(17) is bonded to one La(1), one La(10), one La(3), and one Si(3) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(13)La4 trigonal pyramid,  an edgeedge with one S(4)La3Si tetrahedra, and  an edgeedge with one S(14)La4Sn trigonal bipyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(9), and one Si(4) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one Si(3) atom. In the twentieth S site, S(20) is bonded to one La(11), one La(4), one La(6), and one Si(4) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid,  an edgeedge with one S(3)La3Si tetrahedra,  an edgeedge with one S(15)La4Sn trigonal bipyramid, and  an edgeedge with one S(22)La3Si trigonal pyramid. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(5), one La(7), and one Si(3) atom. In the twenty-second S site, S(22) is bonded to one La(2), one La(6), one La(8), and one Si(4) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(3)La3Si tetrahedra,  an edgeedge with one S(10)La4Sn trigonal bipyramid, and  an edgeedge with one S(20)La3Si trigonal pyramid. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(4), one La(8), and one Si(1) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one La(3), one La(7), one La(9), and one Si(2) atom. In the twenty-fifth S site, S(25) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(6), and one Si(1) atom. In the twenty-sixth S site, S(26) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(5), one La(9), and one Si(2) atom. In the twenty-seventh S site, S(27) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(12), one La(8), and one Si(1) atom. In the twenty-eighth S site, S(28) is bonded to one La(11), one La(2), one La(7), and one Si(2) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid, and  an edgeedge with one S(2)La3Si tetrahedra. is represented by the CIF file [CIF]
data_La12Si4SnS28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.413
_cell_length_b   11.630
_cell_length_c   11.922
_cell_angle_alpha   119.195
_cell_angle_beta   115.883
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   1091.511
_cell_formula_units_Z   1
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  0.634  0.054  0.874  1.0
  La  La1  1  0.653  0.572  0.881  1.0
  La  La2  1  0.227  0.804  0.346  1.0
  La  La3  1  0.241  0.301  0.367  1.0
  La  La4  1  0.124  0.996  0.758  1.0
  La  La5  1  0.120  0.518  0.773  1.0
  La  La6  1  0.346  0.926  0.119  1.0
  La  La7  1  0.367  0.446  0.126  1.0
  La  La8  1  0.760  0.199  0.633  1.0
  La  La9  1  0.772  0.694  0.655  1.0
  La  La10  1  0.882  0.981  0.228  1.0
  La  La11  1  0.873  0.503  0.240  1.0
  Si  Si12  1  0.667  0.335  0.334  1.0
  Si  Si13  1  0.666  0.835  0.332  1.0
  Si  Si14  1  0.335  0.750  0.667  1.0
  Si  Si15  1  0.332  0.251  0.667  1.0
  Sn  Sn16  1  0.000  0.242  0.000  1.0
  S  S17  1  0.668  0.655  0.337  1.0
  S  S18  1  0.665  0.151  0.330  1.0
  S  S19  1  0.333  0.569  0.667  1.0
  S  S20  1  0.333  0.069  0.666  1.0
  S  S21  1  0.743  0.826  0.913  1.0
  S  S22  1  0.757  0.316  0.916  1.0
  S  S23  1  0.159  0.479  0.243  1.0
  S  S24  1  0.170  0.998  0.257  1.0
  S  S25  1  0.086  0.784  0.830  1.0
  S  S26  1  0.085  0.279  0.841  1.0
  S  S27  1  0.243  0.166  0.081  1.0
  S  S28  1  0.257  0.660  0.088  1.0
  S  S29  1  0.830  0.488  0.743  1.0
  S  S30  1  0.838  0.004  0.757  1.0
  S  S31  1  0.919  0.207  0.163  1.0
  S  S32  1  0.912  0.701  0.169  1.0
  S  S33  1  0.472  0.783  0.587  1.0
  S  S34  1  0.480  0.287  0.598  1.0
  S  S35  1  0.118  0.748  0.520  1.0
  S  S36  1  0.115  0.253  0.528  1.0
  S  S37  1  0.406  0.930  0.884  1.0
  S  S38  1  0.409  0.430  0.883  1.0
  S  S39  1  0.523  0.443  0.407  1.0
  S  S40  1  0.526  0.944  0.410  1.0
  S  S41  1  0.884  0.476  0.474  1.0
  S  S42  1  0.884  0.977  0.477  1.0
  S  S43  1  0.592  0.296  0.116  1.0
  S  S44  1  0.591  0.798  0.116  1.0
[/CIF]
.
The crystal structure described by La12SnSi4S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one S(14), one S(15), one S(17), one S(21), one S(27), one S(4), one S(5), and one S(6) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(13), one S(16), one S(18), one S(22), one S(28), one S(3), one S(5), and one S(6) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(17), one S(19), one S(24), one S(4), one S(7), and one S(8) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(18), one S(20), one S(23), one S(3), one S(7), and one S(8) atom. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one S(10), one S(11), one S(14), one S(19), one S(21), one S(26), one S(4), and one S(9) atom. In the sixth La site, La(6) is bonded in a 8-coordinate geometry to one S(10), one S(12), one S(13), one S(20), one S(22), one S(25), one S(3), and one S(9) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(2), one S(21), one S(24), one S(28), one S(8), and one S(9) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(11), one S(12), one S(22), one S(23), one S(27), and one S(7) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(14), one S(18), one S(2), one S(24), one S(26), and one S(6) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(14), one S(17), one S(23), one S(25), one S(5), and one S(9) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one S(15), one S(16), one S(2), one S(20), one S(26), one S(28), one S(5), and one S(8) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one S(1), one S(15), one S(16), one S(19), one S(25), one S(27), one S(6), and one S(7) atom. Sn(1) is bonded in an octahedral geometry to one S(10), one S(11), one S(14), one S(15), one S(6), and one S(7) atom. There are four inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(2), one S(23), one S(25), and one S(27) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(1), one S(24), one S(26), and one S(28) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(17), one S(19), one S(21), and one S(3) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(18), one S(20), one S(22), and one S(4) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one La(10), one La(12), one La(8), and one Si(2) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid, corners with two equivalent S(7)La4Sn trigonal bipyramids,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, and  a cornercorner with one S(13)La4 trigonal pyramid. In the second S site, S(2) is bonded to one La(11), one La(7), one La(9), and one Si(1) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid, and  an edgeedge with one S(28)La3Si trigonal pyramid. In the third S site, S(3) is bonded to one La(2), one La(4), one La(6), and one Si(3) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(20)La3Si trigonal pyramid, and  an edgeedge with one S(22)La3Si trigonal pyramid. In the fourth S site, S(4) is bonded to one La(1), one La(3), one La(5), and one Si(4) atom to form distorted SLa3Si tetrahedra that share  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid, corners with two equivalent S(14)La4Sn trigonal bipyramids,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid, and  an edgeedge with one S(17)La3Si trigonal pyramid. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to one La(1), one La(10), one La(11), and one La(2) atom. In the sixth S site, S(6) is bonded to one La(1), one La(12), one La(2), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(10)La4Sn trigonal bipyramid,  an edgeedge with one S(7)La4Sn trigonal bipyramid,  an edgeedge with one S(13)La4 trigonal pyramid,  a faceface with one S(14)La4Sn trigonal bipyramid, and  a faceface with one S(15)La4Sn trigonal bipyramid. In the seventh S site, S(7) is bonded to one La(12), one La(3), one La(4), one La(8), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra, corners with two equivalent S(1)La3Si tetrahedra,  a cornercorner with one S(14)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  an edgeedge with one S(10)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  a faceface with one S(11)La4Sn trigonal bipyramid, and  a faceface with one S(15)La4Sn trigonal bipyramid. In the eighth S site, S(8) is bonded in a distorted square co-planar geometry to one La(11), one La(3), one La(4), and one La(7) atom. In the ninth S site, S(9) is bonded in a distorted square co-planar geometry to one La(10), one La(5), one La(6), and one La(7) atom. In the tenth S site, S(10) is bonded to one La(5), one La(6), one La(8), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(7)La4Sn trigonal bipyramid,  an edgeedge with one S(22)La3Si trigonal pyramid,  an edgeedge with one S(13)La4 trigonal pyramid,  a faceface with one S(11)La4Sn trigonal bipyramid, and  a faceface with one S(14)La4Sn trigonal bipyramid. In the eleventh S site, S(11) is bonded to one La(4), one La(5), one La(7), one La(8), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(14)La4Sn trigonal bipyramid,  an edgeedge with one S(15)La4Sn trigonal bipyramid,  a faceface with one S(10)La4Sn trigonal bipyramid, and  a faceface with one S(7)La4Sn trigonal bipyramid. In the twelfth S site, S(12) is bonded in a distorted square co-planar geometry to one La(3), one La(6), one La(7), and one La(8) atom. In the thirteenth S site, S(13) is bonded to one La(10), one La(2), one La(6), and one La(9) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra, corners with two equivalent S(3)La3Si tetrahedra, corners with two equivalent S(14)La4Sn trigonal bipyramids,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(22)La3Si trigonal pyramids,  an edgeedge with one S(10)La4Sn trigonal bipyramid, and  an edgeedge with one S(6)La4Sn trigonal bipyramid. In the fourteenth S site, S(14) is bonded to one La(1), one La(10), one La(5), one La(9), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra, corners with two equivalent S(4)La3Si tetrahedra,  a cornercorner with one S(7)La4Sn trigonal bipyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(11)La4Sn trigonal bipyramid,  an edgeedge with one S(15)La4Sn trigonal bipyramid,  an edgeedge with one S(17)La3Si trigonal pyramid,  a faceface with one S(10)La4Sn trigonal bipyramid, and  a faceface with one S(6)La4Sn trigonal bipyramid. In the fifteenth S site, S(15) is bonded to one La(1), one La(11), one La(12), one La(4), and one Sn(1) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(17)La3Si trigonal pyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  an edgeedge with one S(11)La4Sn trigonal bipyramid,  an edgeedge with one S(14)La4Sn trigonal bipyramid,  an edgeedge with one S(20)La3Si trigonal pyramid,  a faceface with one S(6)La4Sn trigonal bipyramid, and  a faceface with one S(7)La4Sn trigonal bipyramid. In the sixteenth S site, S(16) is bonded in a distorted square co-planar geometry to one La(11), one La(12), one La(2), and one La(3) atom. In the seventeenth S site, S(17) is bonded to one La(1), one La(10), one La(3), and one Si(3) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(13)La4 trigonal pyramid,  an edgeedge with one S(4)La3Si tetrahedra, and  an edgeedge with one S(14)La4Sn trigonal bipyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(9), and one Si(4) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one Si(3) atom. In the twentieth S site, S(20) is bonded to one La(11), one La(4), one La(6), and one Si(4) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(2)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(10)La4Sn trigonal bipyramid,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(28)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid,  an edgeedge with one S(3)La3Si tetrahedra,  an edgeedge with one S(15)La4Sn trigonal bipyramid, and  an edgeedge with one S(22)La3Si trigonal pyramid. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(5), one La(7), and one Si(3) atom. In the twenty-second S site, S(22) is bonded to one La(2), one La(6), one La(8), and one Si(4) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(4)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(7)La4Sn trigonal bipyramid,  a cornercorner with one S(28)La3Si trigonal pyramid, corners with two equivalent S(13)La4 trigonal pyramids,  an edgeedge with one S(3)La3Si tetrahedra,  an edgeedge with one S(10)La4Sn trigonal bipyramid, and  an edgeedge with one S(20)La3Si trigonal pyramid. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(4), one La(8), and one Si(1) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one La(3), one La(7), one La(9), and one Si(2) atom. In the twenty-fifth S site, S(25) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(6), and one Si(1) atom. In the twenty-sixth S site, S(26) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(5), one La(9), and one Si(2) atom. In the twenty-seventh S site, S(27) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(12), one La(8), and one Si(1) atom. In the twenty-eighth S site, S(28) is bonded to one La(11), one La(2), one La(7), and one Si(2) atom to form distorted SLa3Si trigonal pyramids that share  a cornercorner with one S(1)La3Si tetrahedra,  a cornercorner with one S(3)La3Si tetrahedra,  a cornercorner with one S(11)La4Sn trigonal bipyramid,  a cornercorner with one S(15)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(20)La3Si trigonal pyramid,  a cornercorner with one S(22)La3Si trigonal pyramid,  a cornercorner with one S(13)La4 trigonal pyramid, and  an edgeedge with one S(2)La3Si tetrahedra. is represented by the CIF file [CIF]
data_La12Si4SnS28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.413
_cell_length_b   11.630
_cell_length_c   11.922
_cell_angle_alpha   119.195
_cell_angle_beta   115.883
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   1091.511
_cell_formula_units_Z   1
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  0.634  0.054  0.874  1.0
  La  La1  1  0.653  0.572  0.881  1.0
  La  La2  1  0.227  0.804  0.346  1.0
  La  La3  1  0.241  0.301  0.367  1.0
  La  La4  1  0.124  0.996  0.758  1.0
  La  La5  1  0.120  0.518  0.773  1.0
  La  La6  1  0.346  0.926  0.119  1.0
  La  La7  1  0.367  0.446  0.126  1.0
  La  La8  1  0.760  0.199  0.633  1.0
  La  La9  1  0.772  0.694  0.655  1.0
  La  La10  1  0.882  0.981  0.228  1.0
  La  La11  1  0.873  0.503  0.240  1.0
  Si  Si12  1  0.667  0.335  0.334  1.0
  Si  Si13  1  0.666  0.835  0.332  1.0
  Si  Si14  1  0.335  0.750  0.667  1.0
  Si  Si15  1  0.332  0.251  0.667  1.0
  Sn  Sn16  1  0.000  0.242  0.000  1.0
  S  S17  1  0.668  0.655  0.337  1.0
  S  S18  1  0.665  0.151  0.330  1.0
  S  S19  1  0.333  0.569  0.667  1.0
  S  S20  1  0.333  0.069  0.666  1.0
  S  S21  1  0.743  0.826  0.913  1.0
  S  S22  1  0.757  0.316  0.916  1.0
  S  S23  1  0.159  0.479  0.243  1.0
  S  S24  1  0.170  0.998  0.257  1.0
  S  S25  1  0.086  0.784  0.830  1.0
  S  S26  1  0.085  0.279  0.841  1.0
  S  S27  1  0.243  0.166  0.081  1.0
  S  S28  1  0.257  0.660  0.088  1.0
  S  S29  1  0.830  0.488  0.743  1.0
  S  S30  1  0.838  0.004  0.757  1.0
  S  S31  1  0.919  0.207  0.163  1.0
  S  S32  1  0.912  0.701  0.169  1.0
  S  S33  1  0.472  0.783  0.587  1.0
  S  S34  1  0.480  0.287  0.598  1.0
  S  S35  1  0.118  0.748  0.520  1.0
  S  S36  1  0.115  0.253  0.528  1.0
  S  S37  1  0.406  0.930  0.884  1.0
  S  S38  1  0.409  0.430  0.883  1.0
  S  S39  1  0.523  0.443  0.407  1.0
  S  S40  1  0.526  0.944  0.410  1.0
  S  S41  1  0.884  0.476  0.474  1.0
  S  S42  1  0.884  0.977  0.477  1.0
  S  S43  1  0.592  0.296  0.116  1.0
  S  S44  1  0.591  0.798  0.116  1.0
[/CIF]
.