The structure described by Y12Si5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(17), one S(18), one S(25), one S(27), one S(6), and one S(8) atom. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one S(14), one S(18), one S(2), one S(26), one S(28), one S(5), and one S(7) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(16), one S(19), one S(23), one S(28), and one S(8) atom. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(2), one S(20), one S(24), one S(27), one S(7), and one S(9) atom. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(11), one S(21), one S(23), one S(26), and one S(6) atom. In the sixth Y site, Y(6) is bonded in a 8-coordinate geometry to one S(12), one S(2), one S(21), one S(22), one S(24), one S(25), one S(5), and one S(9) atom. In the seventh Y site, Y(7) is bonded in a 8-coordinate geometry to one S(11), one S(13), one S(19), one S(21), one S(23), one S(24), one S(3), and one S(7) atom. In the eighth Y site, Y(8) is bonded in a 8-coordinate geometry to one S(12), one S(14), one S(20), one S(22), one S(23), one S(24), one S(4), and one S(8) atom. In the ninth Y site, Y(9) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(15), one S(17), one S(22), one S(25), one S(26), and one S(3) atom. In the tenth Y site, Y(10) is bonded in a 8-coordinate geometry to one S(14), one S(16), one S(18), one S(21), one S(25), one S(26), one S(4), and one S(9) atom. In the eleventh Y site, Y(11) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(17), one S(20), one S(27), one S(28), one S(3), and one S(5) atom. In the twelfth Y site, Y(12) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(18), one S(19), one S(27), one S(28), one S(4), and one S(6) atom. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1), one S(5), one S(7), and one S(9) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(10), one S(2), one S(6), and one S(8) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(11), one S(13), one S(15), and one S(4) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(12), one S(14), one S(16), and one S(3) atom. In the fifth Si site, Si(5) is bonded in an octahedral geometry to one S(17), one S(20), one S(22), one S(24), one S(25), and one S(27) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one Y(1), one Y(3), one Y(5), and one Si(1) atom to form SY3Si tetrahedra that share  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(23)Y4 trigonal pyramids. In the second S site, S(2) is bonded to one Y(2), one Y(4), one Y(6), and one Si(2) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid, and  a cornercorner with one S(28)Y4 trigonal pyramid. In the third S site, S(3) is bonded to one Y(11), one Y(7), one Y(9), and one Si(4) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(17)Y3Si trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(10), one Y(12), one Y(8), and one Si(3) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(18)Y4 trigonal pyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(2), one Y(6), and one Si(1) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(12), one Y(5), and one Si(2) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), one Y(7), and one Si(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), one Y(8), and one Si(2) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(4), one Y(6), and one Si(1) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to one Y(3), one Y(5), one Y(9), and one Si(2) atom. In the eleventh S site, S(11) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(5), one Y(7), and one Si(3) atom. In the twelfth S site, S(12) is bonded in a distorted rectangular see-saw-like geometry to one Y(12), one Y(6), one Y(8), and one Si(4) atom. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(7), one Y(9), and one Si(3) atom. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(2), one Y(8), and one Si(4) atom. In the fifteenth S site, S(15) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(4), one Y(9), and one Si(3) atom. In the sixteenth S site, S(16) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(12), one Y(3), and one Si(4) atom. In the seventeenth S site, S(17) is bonded to one Y(1), one Y(11), one Y(9), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra, corners with two equivalent S(3)Y3Si tetrahedra,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(20)Y3Si trigonal pyramid, and  an edgeedge with one S(22)Y3Si trigonal pyramid. In the eighteenth S site, S(18) is bonded to one Y(1), one Y(10), one Y(12), and one Y(2) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra, corners with two equivalent S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  an edgeedge with one S(26)Y4 trigonal pyramid, and  an edgeedge with one S(28)Y4 trigonal pyramid. In the nineteenth S site, S(19) is bonded to one Y(12), one Y(3), one Y(4), and one Y(7) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  an edgeedge with one S(23)Y4 trigonal pyramid, and  an edgeedge with one S(28)Y4 trigonal pyramid. In the twentieth S site, S(20) is bonded to one Y(11), one Y(4), one Y(8), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(17)Y3Si trigonal pyramid, and  an edgeedge with one S(22)Y3Si trigonal pyramid. In the twenty-first S site, S(21) is bonded to one Y(10), one Y(5), one Y(6), and one Y(7) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  an edgeedge with one S(23)Y4 trigonal pyramid, and  an edgeedge with one S(26)Y4 trigonal pyramid. In the twenty-second S site, S(22) is bonded to one Y(6), one Y(8), one Y(9), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  an edgeedge with one S(17)Y3Si trigonal pyramid, and  an edgeedge with one S(20)Y3Si trigonal pyramid. In the twenty-third S site, S(23) is bonded to one Y(3), one Y(5), one Y(7), and one Y(8) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra, corners with two equivalent S(1)Y3Si tetrahedra,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(19)Y4 trigonal pyramid, and  an edgeedge with one S(21)Y4 trigonal pyramid. In the twenty-fourth S site, S(24) is bonded in a 5-coordinate geometry to one Y(4), one Y(6), one Y(7), one Y(8), and one Si(5) atom. In the twenty-fifth S site, S(25) is bonded in a 5-coordinate geometry to one Y(1), one Y(10), one Y(6), one Y(9), and one Si(5) atom. In the twenty-sixth S site, S(26) is bonded to one Y(10), one Y(2), one Y(5), and one Y(9) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(18)Y4 trigonal pyramid, and  an edgeedge with one S(21)Y4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded in a 5-coordinate geometry to one Y(1), one Y(11), one Y(12), one Y(4), and one Si(5) atom. In the twenty-eighth S site, S(28) is bonded to one Y(11), one Y(12), one Y(2), and one Y(3) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  an edgeedge with one S(18)Y4 trigonal pyramid, and  an edgeedge with one S(19)Y4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y12Si5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.826
_cell_length_b   11.359
_cell_length_c   11.367
_cell_angle_alpha   60.582
_cell_angle_beta   64.406
_cell_angle_gamma   64.382
_symmetry_Int_Tables_number   1
_cell_volume   956.779
_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
  Y  Y0  1  0.233  0.931  0.701  1.0
  Y  Y1  1  0.219  0.467  0.185  1.0
  Y  Y2  1  0.650  0.704  0.424  1.0
  Y  Y3  1  0.635  0.185  0.952  1.0
  Y  Y4  1  0.131  0.749  0.468  1.0
  Y  Y5  1  0.130  0.234  0.003  1.0
  Y  Y6  1  0.780  0.041  0.304  1.0
  Y  Y7  1  0.774  0.571  0.797  1.0
  Y  Y8  1  0.367  0.317  0.545  1.0
  Y  Y9  1  0.344  0.807  0.067  1.0
  Y  Y10  1  0.862  0.272  0.502  1.0
  Y  Y11  1  0.872  0.761  0.020  1.0
  Si  Si12  1  0.334  0.087  0.252  1.0
  Si  Si13  1  0.334  0.582  0.744  1.0
  Si  Si14  1  0.666  0.005  0.663  1.0
  Si  Si15  1  0.667  0.505  0.160  1.0
  Si  Si16  1  0.001  0.226  0.774  1.0
  S  S17  1  0.333  0.901  0.434  1.0
  S  S18  1  0.333  0.399  0.932  1.0
  S  S19  1  0.674  0.313  0.339  1.0
  S  S20  1  0.660  0.828  0.854  1.0
  S  S21  1  0.108  0.238  0.253  1.0
  S  S22  1  0.104  0.725  0.739  1.0
  S  S23  1  0.470  0.209  0.222  1.0
  S  S24  1  0.487  0.692  0.708  1.0
  S  S25  1  0.412  0.046  0.064  1.0
  S  S26  1  0.421  0.544  0.555  1.0
  S  S27  1  0.895  0.008  0.519  1.0
  S  S28  1  0.896  0.508  0.014  1.0
  S  S29  1  0.520  0.037  0.548  1.0
  S  S30  1  0.527  0.537  0.041  1.0
  S  S31  1  0.582  0.195  0.701  1.0
  S  S32  1  0.580  0.693  0.202  1.0
  S  S33  1  0.139  0.223  0.551  1.0
  S  S34  1  0.166  0.737  0.998  1.0
  S  S35  1  0.736  0.917  0.181  1.0
  S  S36  1  0.775  0.382  0.707  1.0
  S  S37  1  0.095  0.950  0.216  1.0
  S  S38  1  0.089  0.407  0.732  1.0
  S  S39  1  0.839  0.743  0.516  1.0
  S  S40  1  0.850  0.235  0.001  1.0
  S  S41  1  0.236  0.074  0.840  1.0
  S  S42  1  0.258  0.564  0.338  1.0
  S  S43  1  0.914  0.042  0.808  1.0
  S  S44  1  0.902  0.534  0.306  1.0
[/CIF]
.
The structure described by Y12Si5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one S(1), one S(13), one S(17), one S(18), one S(25), one S(27), one S(6), and one S(8) atom. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one S(14), one S(18), one S(2), one S(26), one S(28), one S(5), and one S(7) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(16), one S(19), one S(23), one S(28), and one S(8) atom. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(2), one S(20), one S(24), one S(27), one S(7), and one S(9) atom. In the fifth Y site, Y(5) is bonded in a 7-coordinate geometry to one S(1), one S(10), one S(11), one S(21), one S(23), one S(26), and one S(6) atom. In the sixth Y site, Y(6) is bonded in a 8-coordinate geometry to one S(12), one S(2), one S(21), one S(22), one S(24), one S(25), one S(5), and one S(9) atom. In the seventh Y site, Y(7) is bonded in a 8-coordinate geometry to one S(11), one S(13), one S(19), one S(21), one S(23), one S(24), one S(3), and one S(7) atom. In the eighth Y site, Y(8) is bonded in a 8-coordinate geometry to one S(12), one S(14), one S(20), one S(22), one S(23), one S(24), one S(4), and one S(8) atom. In the ninth Y site, Y(9) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(15), one S(17), one S(22), one S(25), one S(26), and one S(3) atom. In the tenth Y site, Y(10) is bonded in a 8-coordinate geometry to one S(14), one S(16), one S(18), one S(21), one S(25), one S(26), one S(4), and one S(9) atom. In the eleventh Y site, Y(11) is bonded in a 8-coordinate geometry to one S(11), one S(15), one S(17), one S(20), one S(27), one S(28), one S(3), and one S(5) atom. In the twelfth Y site, Y(12) is bonded in a 8-coordinate geometry to one S(12), one S(16), one S(18), one S(19), one S(27), one S(28), one S(4), and one S(6) atom. There are five inequivalent Si sites. In the first Si site, Si(1) is bonded in a tetrahedral geometry to one S(1), one S(5), one S(7), and one S(9) atom. In the second Si site, Si(2) is bonded in a tetrahedral geometry to one S(10), one S(2), one S(6), and one S(8) atom. In the third Si site, Si(3) is bonded in a tetrahedral geometry to one S(11), one S(13), one S(15), and one S(4) atom. In the fourth Si site, Si(4) is bonded in a tetrahedral geometry to one S(12), one S(14), one S(16), and one S(3) atom. In the fifth Si site, Si(5) is bonded in an octahedral geometry to one S(17), one S(20), one S(22), one S(24), one S(25), and one S(27) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one Y(1), one Y(3), one Y(5), and one Si(1) atom to form SY3Si tetrahedra that share  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(23)Y4 trigonal pyramids. In the second S site, S(2) is bonded to one Y(2), one Y(4), one Y(6), and one Si(2) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid, and  a cornercorner with one S(28)Y4 trigonal pyramid. In the third S site, S(3) is bonded to one Y(11), one Y(7), one Y(9), and one Si(4) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(17)Y3Si trigonal pyramids. In the fourth S site, S(4) is bonded to one Y(10), one Y(12), one Y(8), and one Si(3) atom to form distorted SY3Si tetrahedra that share  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid, and corners with two equivalent S(18)Y4 trigonal pyramids. In the fifth S site, S(5) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(2), one Y(6), and one Si(1) atom. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one Y(1), one Y(12), one Y(5), and one Si(2) atom. In the seventh S site, S(7) is bonded in a 4-coordinate geometry to one Y(2), one Y(4), one Y(7), and one Si(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(3), one Y(8), and one Si(2) atom. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(4), one Y(6), and one Si(1) atom. In the tenth S site, S(10) is bonded in a distorted rectangular see-saw-like geometry to one Y(3), one Y(5), one Y(9), and one Si(2) atom. In the eleventh S site, S(11) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(5), one Y(7), and one Si(3) atom. In the twelfth S site, S(12) is bonded in a distorted rectangular see-saw-like geometry to one Y(12), one Y(6), one Y(8), and one Si(4) atom. In the thirteenth S site, S(13) is bonded in a distorted rectangular see-saw-like geometry to one Y(1), one Y(7), one Y(9), and one Si(3) atom. In the fourteenth S site, S(14) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(2), one Y(8), and one Si(4) atom. In the fifteenth S site, S(15) is bonded in a distorted rectangular see-saw-like geometry to one Y(11), one Y(4), one Y(9), and one Si(3) atom. In the sixteenth S site, S(16) is bonded in a distorted rectangular see-saw-like geometry to one Y(10), one Y(12), one Y(3), and one Si(4) atom. In the seventeenth S site, S(17) is bonded to one Y(1), one Y(11), one Y(9), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra, corners with two equivalent S(3)Y3Si tetrahedra,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(20)Y3Si trigonal pyramid, and  an edgeedge with one S(22)Y3Si trigonal pyramid. In the eighteenth S site, S(18) is bonded to one Y(1), one Y(10), one Y(12), and one Y(2) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra, corners with two equivalent S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  an edgeedge with one S(26)Y4 trigonal pyramid, and  an edgeedge with one S(28)Y4 trigonal pyramid. In the nineteenth S site, S(19) is bonded to one Y(12), one Y(3), one Y(4), and one Y(7) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(21)Y4 trigonal pyramid,  an edgeedge with one S(23)Y4 trigonal pyramid, and  an edgeedge with one S(28)Y4 trigonal pyramid. In the twentieth S site, S(20) is bonded to one Y(11), one Y(4), one Y(8), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(19)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(17)Y3Si trigonal pyramid, and  an edgeedge with one S(22)Y3Si trigonal pyramid. In the twenty-first S site, S(21) is bonded to one Y(10), one Y(5), one Y(6), and one Y(7) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(18)Y4 trigonal pyramid,  a cornercorner with one S(19)Y4 trigonal pyramid,  an edgeedge with one S(23)Y4 trigonal pyramid, and  an edgeedge with one S(26)Y4 trigonal pyramid. In the twenty-second S site, S(22) is bonded to one Y(6), one Y(8), one Y(9), and one Si(5) atom to form distorted SY3Si trigonal pyramids that share  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(21)Y4 trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  an edgeedge with one S(17)Y3Si trigonal pyramid, and  an edgeedge with one S(20)Y3Si trigonal pyramid. In the twenty-third S site, S(23) is bonded to one Y(3), one Y(5), one Y(7), and one Y(8) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra, corners with two equivalent S(1)Y3Si tetrahedra,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(19)Y4 trigonal pyramid, and  an edgeedge with one S(21)Y4 trigonal pyramid. In the twenty-fourth S site, S(24) is bonded in a 5-coordinate geometry to one Y(4), one Y(6), one Y(7), one Y(8), and one Si(5) atom. In the twenty-fifth S site, S(25) is bonded in a 5-coordinate geometry to one Y(1), one Y(10), one Y(6), one Y(9), and one Si(5) atom. In the twenty-sixth S site, S(26) is bonded to one Y(10), one Y(2), one Y(5), and one Y(9) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(22)Y3Si trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(28)Y4 trigonal pyramid,  an edgeedge with one S(18)Y4 trigonal pyramid, and  an edgeedge with one S(21)Y4 trigonal pyramid. In the twenty-seventh S site, S(27) is bonded in a 5-coordinate geometry to one Y(1), one Y(11), one Y(12), one Y(4), and one Si(5) atom. In the twenty-eighth S site, S(28) is bonded to one Y(11), one Y(12), one Y(2), and one Y(3) atom to form distorted SY4 trigonal pyramids that share  a cornercorner with one S(1)Y3Si tetrahedra,  a cornercorner with one S(2)Y3Si tetrahedra,  a cornercorner with one S(3)Y3Si tetrahedra,  a cornercorner with one S(4)Y3Si tetrahedra,  a cornercorner with one S(17)Y3Si trigonal pyramid,  a cornercorner with one S(20)Y3Si trigonal pyramid,  a cornercorner with one S(23)Y4 trigonal pyramid,  a cornercorner with one S(26)Y4 trigonal pyramid,  an edgeedge with one S(18)Y4 trigonal pyramid, and  an edgeedge with one S(19)Y4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y12Si5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.826
_cell_length_b   11.359
_cell_length_c   11.367
_cell_angle_alpha   60.582
_cell_angle_beta   64.406
_cell_angle_gamma   64.382
_symmetry_Int_Tables_number   1
_cell_volume   956.779
_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
  Y  Y0  1  0.233  0.931  0.701  1.0
  Y  Y1  1  0.219  0.467  0.185  1.0
  Y  Y2  1  0.650  0.704  0.424  1.0
  Y  Y3  1  0.635  0.185  0.952  1.0
  Y  Y4  1  0.131  0.749  0.468  1.0
  Y  Y5  1  0.130  0.234  0.003  1.0
  Y  Y6  1  0.780  0.041  0.304  1.0
  Y  Y7  1  0.774  0.571  0.797  1.0
  Y  Y8  1  0.367  0.317  0.545  1.0
  Y  Y9  1  0.344  0.807  0.067  1.0
  Y  Y10  1  0.862  0.272  0.502  1.0
  Y  Y11  1  0.872  0.761  0.020  1.0
  Si  Si12  1  0.334  0.087  0.252  1.0
  Si  Si13  1  0.334  0.582  0.744  1.0
  Si  Si14  1  0.666  0.005  0.663  1.0
  Si  Si15  1  0.667  0.505  0.160  1.0
  Si  Si16  1  0.001  0.226  0.774  1.0
  S  S17  1  0.333  0.901  0.434  1.0
  S  S18  1  0.333  0.399  0.932  1.0
  S  S19  1  0.674  0.313  0.339  1.0
  S  S20  1  0.660  0.828  0.854  1.0
  S  S21  1  0.108  0.238  0.253  1.0
  S  S22  1  0.104  0.725  0.739  1.0
  S  S23  1  0.470  0.209  0.222  1.0
  S  S24  1  0.487  0.692  0.708  1.0
  S  S25  1  0.412  0.046  0.064  1.0
  S  S26  1  0.421  0.544  0.555  1.0
  S  S27  1  0.895  0.008  0.519  1.0
  S  S28  1  0.896  0.508  0.014  1.0
  S  S29  1  0.520  0.037  0.548  1.0
  S  S30  1  0.527  0.537  0.041  1.0
  S  S31  1  0.582  0.195  0.701  1.0
  S  S32  1  0.580  0.693  0.202  1.0
  S  S33  1  0.139  0.223  0.551  1.0
  S  S34  1  0.166  0.737  0.998  1.0
  S  S35  1  0.736  0.917  0.181  1.0
  S  S36  1  0.775  0.382  0.707  1.0
  S  S37  1  0.095  0.950  0.216  1.0
  S  S38  1  0.089  0.407  0.732  1.0
  S  S39  1  0.839  0.743  0.516  1.0
  S  S40  1  0.850  0.235  0.001  1.0
  S  S41  1  0.236  0.074  0.840  1.0
  S  S42  1  0.258  0.564  0.338  1.0
  S  S43  1  0.914  0.042  0.808  1.0
  S  S44  1  0.902  0.534  0.306  1.0
[/CIF]
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