The compound described by La12Sn5S28 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(1), one S(11), one S(12), one S(13), one S(15), one S(21), one S(27), and one S(4) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(14), one S(16), one S(2), one S(22), one S(28), and one S(3) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(15), one S(17), one S(23), one S(27), one S(3), one S(5), 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(16), one S(18), one S(24), one S(28), one S(4), one S(6), 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(1), one S(10), one S(13), one S(17), one S(20), one S(27), one S(6), 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(14), one S(18), one S(19), one S(2), one S(28), one S(5), and one S(9) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(19), one S(21), one S(25), one S(5), one S(6), and one S(7) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one S(15), one S(20), one S(22), one S(26), one S(5), one S(6), one S(8), and one S(9) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(18), one S(2), one S(21), one S(23), one S(25), and one S(9) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(17), one S(2), one S(22), one S(24), and one S(26) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(19), one S(23), one S(25), one S(3), one S(4), and one S(7) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(20), one S(24), one S(26), one S(3), one S(4), and one S(8) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a tetrahedral geometry to one S(19), one S(21), one S(23), and one S(26) atom. In the second Sn site, Sn(2) is bonded in a tetrahedral geometry to one S(20), one S(22), one S(24), and one S(25) atom. In the third Sn site, Sn(3) is bonded in a tetrahedral geometry to one S(14), one S(16), one S(18), and one S(27) atom. In the fourth Sn site, Sn(4) is bonded in a tetrahedral geometry to one S(13), one S(15), one S(17), and one S(28) atom. In the fifth Sn site, Sn(5) is bonded in an octahedral geometry to one S(1), one S(11), one S(4), one S(6), one S(8), and one S(9) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one La(1), one La(10), one La(5), one La(9), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra, corners with two equivalent S(27)La3Sn tetrahedra, corners with two equivalent S(2)La4 trigonal pyramids,  an edgeedge with one S(4)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(10)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the second S site, S(2) 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(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra, corners with two equivalent S(28)La3Sn tetrahedra, corners with two equivalent S(1)La4Sn trigonal bipyramids,  a cornercorner with one S(3)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid,  an edgeedge with one S(10)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the third S site, S(3) is bonded to one La(11), one La(12), one La(2), and one La(3) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(4)La4Sn trigonal bipyramids,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the fourth S site, S(4) is bonded to one La(1), one La(11), one La(12), one La(4), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(3)La4 trigonal pyramids,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the fifth S site, S(5) is bonded to one La(3), one La(6), one La(7), and one La(8) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(6)La4Sn trigonal bipyramids,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  an edgeedge with one S(10)La4 trigonal pyramid. In the sixth S site, S(6) is bonded to one La(4), one La(5), one La(7), one La(8), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(5)La4 trigonal pyramids,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(4)La4Sn trigonal bipyramid, and  an edgeedge with one S(10)La4 trigonal pyramid. In the seventh S site, S(7) 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 eighth S site, S(8) is bonded in a 5-coordinate geometry to one La(12), one La(3), one La(4), one La(8), and one Sn(5) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), and one Sn(5) atom. In the tenth S site, S(10) is bonded to one La(10), one La(5), one La(6), and one La(7) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra,  a cornercorner with one S(12)La4 trigonal pyramid,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(2)La4 trigonal pyramid, and  an edgeedge with one S(5)La4 trigonal pyramid. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to one La(1), one La(12), one La(2), one La(9), and one Sn(5) atom. In the twelfth S site, S(12) is bonded to one La(1), one La(10), one La(11), and one La(2) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra,  a cornercorner with one S(10)La4 trigonal pyramid,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(4)La4Sn trigonal bipyramid,  an edgeedge with one S(2)La4 trigonal pyramid, and  an edgeedge with one S(3)La4 trigonal pyramid. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(11), one La(5), and one Sn(4) atom. In the fourteenth S site, S(14) is bonded in a rectangular see-saw-like geometry to one La(12), one La(2), one La(6), and one Sn(3) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one La(1), one La(3), one La(8), and one Sn(4) atom. In the sixteenth S site, S(16) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(7), and one Sn(3) atom. In the seventeenth S site, S(17) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(3), one La(5), and one Sn(4) atom. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one La(4), one La(6), one La(9), and one Sn(3) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(6), one La(7), and one Sn(1) atom. In the twentieth S site, S(20) is bonded in a rectangular see-saw-like geometry to one La(12), one La(5), one La(8), and one Sn(2) atom. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(7), one La(9), and one Sn(1) atom. In the twenty-second S site, S(22) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(2), one La(8), and one Sn(2) atom. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(3), one La(9), and one Sn(1) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(4), and one Sn(2) atom. In the twenty-fifth S site, S(25) is bonded to one La(11), one La(7), one La(9), and one Sn(2) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(1)La4Sn trigonal bipyramid,  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-sixth S site, S(26) is bonded to one La(10), one La(12), one La(8), and one Sn(1) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(1)La4Sn trigonal bipyramid,  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded to one La(1), one La(3), one La(5), and one Sn(3) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid, corners with two equivalent S(1)La4Sn trigonal bipyramids,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded to one La(2), one La(4), one La(6), and one Sn(4) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid, and corners with two equivalent S(2)La4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La12Sn5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   12.018
_cell_length_c   12.021
_cell_angle_alpha   60.637
_cell_angle_beta   64.417
_cell_angle_gamma   64.413
_symmetry_Int_Tables_number   1
_cell_volume   1132.165
_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  0.135  0.245  0.986  1.0
  La  La1  1  0.132  0.754  0.461  1.0
  La  La2  1  0.216  0.473  0.181  1.0
  La  La3  1  0.230  0.947  0.687  1.0
  La  La4  1  0.634  0.199  0.938  1.0
  La  La5  1  0.654  0.711  0.419  1.0
  La  La6  1  0.871  0.772  0.012  1.0
  La  La7  1  0.861  0.282  0.491  1.0
  La  La8  1  0.773  0.580  0.788  1.0
  La  La9  1  0.784  0.052  0.292  1.0
  La  La10  1  0.345  0.815  0.055  1.0
  La  La11  1  0.367  0.327  0.535  1.0
  Sn  Sn12  1  0.665  0.512  0.157  1.0
  Sn  Sn13  1  0.668  0.008  0.655  1.0
  Sn  Sn14  1  0.331  0.593  0.742  1.0
  Sn  Sn15  1  0.336  0.090  0.242  1.0
  Sn  Sn16  1  1.000  0.249  0.751  1.0
  S  S17  1  0.847  0.256  0.988  1.0
  S  S18  1  0.839  0.757  0.506  1.0
  S  S19  1  0.263  0.574  0.325  1.0
  S  S20  1  0.243  0.089  0.821  1.0
  S  S21  1  0.898  0.544  0.295  1.0
  S  S22  1  0.909  0.057  0.790  1.0
  S  S23  1  0.162  0.746  0.991  1.0
  S  S24  1  0.147  0.241  0.517  1.0
  S  S25  1  0.758  0.410  0.685  1.0
  S  S26  1  0.738  0.927  0.172  1.0
  S  S27  1  0.095  0.437  0.711  1.0
  S  S28  1  0.099  0.958  0.204  1.0
  S  S29  1  0.422  0.054  0.036  1.0
  S  S30  1  0.425  0.556  0.536  1.0
  S  S31  1  0.095  0.254  0.237  1.0
  S  S32  1  0.088  0.750  0.730  1.0
  S  S33  1  0.480  0.226  0.205  1.0
  S  S34  1  0.491  0.717  0.698  1.0
  S  S35  1  0.574  0.717  0.194  1.0
  S  S36  1  0.576  0.214  0.693  1.0
  S  S37  1  0.909  0.518  0.997  1.0
  S  S38  1  0.910  0.019  0.497  1.0
  S  S39  1  0.517  0.548  0.026  1.0
  S  S40  1  0.514  0.049  0.527  1.0
  S  S41  1  0.662  0.819  0.858  1.0
  S  S42  1  0.671  0.310  0.346  1.0
  S  S43  1  0.332  0.398  0.938  1.0
  S  S44  1  0.334  0.895  0.436  1.0
[/CIF]
.
The compound described by La12Sn5S28 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(1), one S(11), one S(12), one S(13), one S(15), one S(21), one S(27), and one S(4) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(14), one S(16), one S(2), one S(22), one S(28), and one S(3) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one S(15), one S(17), one S(23), one S(27), one S(3), one S(5), 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(16), one S(18), one S(24), one S(28), one S(4), one S(6), 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(1), one S(10), one S(13), one S(17), one S(20), one S(27), one S(6), 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(14), one S(18), one S(19), one S(2), one S(28), one S(5), and one S(9) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(19), one S(21), one S(25), one S(5), one S(6), and one S(7) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one S(15), one S(20), one S(22), one S(26), one S(5), one S(6), one S(8), and one S(9) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(18), one S(2), one S(21), one S(23), one S(25), and one S(9) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(17), one S(2), one S(22), one S(24), and one S(26) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(19), one S(23), one S(25), one S(3), one S(4), and one S(7) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(20), one S(24), one S(26), one S(3), one S(4), and one S(8) atom. There are five inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a tetrahedral geometry to one S(19), one S(21), one S(23), and one S(26) atom. In the second Sn site, Sn(2) is bonded in a tetrahedral geometry to one S(20), one S(22), one S(24), and one S(25) atom. In the third Sn site, Sn(3) is bonded in a tetrahedral geometry to one S(14), one S(16), one S(18), and one S(27) atom. In the fourth Sn site, Sn(4) is bonded in a tetrahedral geometry to one S(13), one S(15), one S(17), and one S(28) atom. In the fifth Sn site, Sn(5) is bonded in an octahedral geometry to one S(1), one S(11), one S(4), one S(6), one S(8), and one S(9) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one La(1), one La(10), one La(5), one La(9), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra, corners with two equivalent S(27)La3Sn tetrahedra, corners with two equivalent S(2)La4 trigonal pyramids,  an edgeedge with one S(4)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(10)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the second S site, S(2) 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(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra, corners with two equivalent S(28)La3Sn tetrahedra, corners with two equivalent S(1)La4Sn trigonal bipyramids,  a cornercorner with one S(3)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid,  an edgeedge with one S(10)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the third S site, S(3) is bonded to one La(11), one La(12), one La(2), and one La(3) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(4)La4Sn trigonal bipyramids,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the fourth S site, S(4) is bonded to one La(1), one La(11), one La(12), one La(4), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(3)La4 trigonal pyramids,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid, and  an edgeedge with one S(12)La4 trigonal pyramid. In the fifth S site, S(5) is bonded to one La(3), one La(6), one La(7), and one La(8) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(6)La4Sn trigonal bipyramids,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  an edgeedge with one S(10)La4 trigonal pyramid. In the sixth S site, S(6) is bonded to one La(4), one La(5), one La(7), one La(8), and one Sn(5) atom to form distorted SLa4Sn trigonal bipyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra, corners with two equivalent S(5)La4 trigonal pyramids,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(4)La4Sn trigonal bipyramid, and  an edgeedge with one S(10)La4 trigonal pyramid. In the seventh S site, S(7) 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 eighth S site, S(8) is bonded in a 5-coordinate geometry to one La(12), one La(3), one La(4), one La(8), and one Sn(5) atom. In the ninth S site, S(9) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), and one Sn(5) atom. In the tenth S site, S(10) is bonded to one La(10), one La(5), one La(6), and one La(7) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra,  a cornercorner with one S(12)La4 trigonal pyramid,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(6)La4Sn trigonal bipyramid,  an edgeedge with one S(2)La4 trigonal pyramid, and  an edgeedge with one S(5)La4 trigonal pyramid. In the eleventh S site, S(11) is bonded in a 5-coordinate geometry to one La(1), one La(12), one La(2), one La(9), and one Sn(5) atom. In the twelfth S site, S(12) is bonded to one La(1), one La(10), one La(11), and one La(2) atom to form distorted SLa4 trigonal pyramids that share  a cornercorner with one S(25)La3Sn tetrahedra,  a cornercorner with one S(26)La3Sn tetrahedra,  a cornercorner with one S(27)La3Sn tetrahedra,  a cornercorner with one S(28)La3Sn tetrahedra,  a cornercorner with one S(10)La4 trigonal pyramid,  an edgeedge with one S(1)La4Sn trigonal bipyramid,  an edgeedge with one S(4)La4Sn trigonal bipyramid,  an edgeedge with one S(2)La4 trigonal pyramid, and  an edgeedge with one S(3)La4 trigonal pyramid. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(11), one La(5), and one Sn(4) atom. In the fourteenth S site, S(14) is bonded in a rectangular see-saw-like geometry to one La(12), one La(2), one La(6), and one Sn(3) atom. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one La(1), one La(3), one La(8), and one Sn(4) atom. In the sixteenth S site, S(16) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(7), and one Sn(3) atom. In the seventeenth S site, S(17) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(3), one La(5), and one Sn(4) atom. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one La(4), one La(6), one La(9), and one Sn(3) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(6), one La(7), and one Sn(1) atom. In the twentieth S site, S(20) is bonded in a rectangular see-saw-like geometry to one La(12), one La(5), one La(8), and one Sn(2) atom. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(7), one La(9), and one Sn(1) atom. In the twenty-second S site, S(22) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(2), one La(8), and one Sn(2) atom. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(3), one La(9), and one Sn(1) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(4), and one Sn(2) atom. In the twenty-fifth S site, S(25) is bonded to one La(11), one La(7), one La(9), and one Sn(2) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(1)La4Sn trigonal bipyramid,  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-sixth S site, S(26) is bonded to one La(10), one La(12), one La(8), and one Sn(1) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(1)La4Sn trigonal bipyramid,  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(2)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded to one La(1), one La(3), one La(5), and one Sn(3) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid, corners with two equivalent S(1)La4Sn trigonal bipyramids,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid, and  a cornercorner with one S(5)La4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded to one La(2), one La(4), one La(6), and one Sn(4) atom to form SLa3Sn tetrahedra that share  a cornercorner with one S(4)La4Sn trigonal bipyramid,  a cornercorner with one S(6)La4Sn trigonal bipyramid,  a cornercorner with one S(10)La4 trigonal pyramid,  a cornercorner with one S(12)La4 trigonal pyramid,  a cornercorner with one S(3)La4 trigonal pyramid,  a cornercorner with one S(5)La4 trigonal pyramid, and corners with two equivalent S(2)La4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_La12Sn5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.385
_cell_length_b   12.018
_cell_length_c   12.021
_cell_angle_alpha   60.637
_cell_angle_beta   64.417
_cell_angle_gamma   64.413
_symmetry_Int_Tables_number   1
_cell_volume   1132.165
_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  0.135  0.245  0.986  1.0
  La  La1  1  0.132  0.754  0.461  1.0
  La  La2  1  0.216  0.473  0.181  1.0
  La  La3  1  0.230  0.947  0.687  1.0
  La  La4  1  0.634  0.199  0.938  1.0
  La  La5  1  0.654  0.711  0.419  1.0
  La  La6  1  0.871  0.772  0.012  1.0
  La  La7  1  0.861  0.282  0.491  1.0
  La  La8  1  0.773  0.580  0.788  1.0
  La  La9  1  0.784  0.052  0.292  1.0
  La  La10  1  0.345  0.815  0.055  1.0
  La  La11  1  0.367  0.327  0.535  1.0
  Sn  Sn12  1  0.665  0.512  0.157  1.0
  Sn  Sn13  1  0.668  0.008  0.655  1.0
  Sn  Sn14  1  0.331  0.593  0.742  1.0
  Sn  Sn15  1  0.336  0.090  0.242  1.0
  Sn  Sn16  1  1.000  0.249  0.751  1.0
  S  S17  1  0.847  0.256  0.988  1.0
  S  S18  1  0.839  0.757  0.506  1.0
  S  S19  1  0.263  0.574  0.325  1.0
  S  S20  1  0.243  0.089  0.821  1.0
  S  S21  1  0.898  0.544  0.295  1.0
  S  S22  1  0.909  0.057  0.790  1.0
  S  S23  1  0.162  0.746  0.991  1.0
  S  S24  1  0.147  0.241  0.517  1.0
  S  S25  1  0.758  0.410  0.685  1.0
  S  S26  1  0.738  0.927  0.172  1.0
  S  S27  1  0.095  0.437  0.711  1.0
  S  S28  1  0.099  0.958  0.204  1.0
  S  S29  1  0.422  0.054  0.036  1.0
  S  S30  1  0.425  0.556  0.536  1.0
  S  S31  1  0.095  0.254  0.237  1.0
  S  S32  1  0.088  0.750  0.730  1.0
  S  S33  1  0.480  0.226  0.205  1.0
  S  S34  1  0.491  0.717  0.698  1.0
  S  S35  1  0.574  0.717  0.194  1.0
  S  S36  1  0.576  0.214  0.693  1.0
  S  S37  1  0.909  0.518  0.997  1.0
  S  S38  1  0.910  0.019  0.497  1.0
  S  S39  1  0.517  0.548  0.026  1.0
  S  S40  1  0.514  0.049  0.527  1.0
  S  S41  1  0.662  0.819  0.858  1.0
  S  S42  1  0.671  0.310  0.346  1.0
  S  S43  1  0.332  0.398  0.938  1.0
  S  S44  1  0.334  0.895  0.436  1.0
[/CIF]
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