The crystal structure described by Pr12Ge5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(14), one S(17), one S(19), one S(2), and one S(26) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(13), one S(18), one S(2), one S(20), one S(25), and one S(9) atom. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(19), one S(21), one S(27), one S(3), one S(4), and one S(8) atom. In the fourth Pr site, Pr(4) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(20), one S(22), one S(28), one S(3), one S(4), and one S(7) atom. In the fifth Pr site, Pr(5) is bonded in a 8-coordinate geometry to one S(14), one S(17), one S(21), one S(24), one S(5), one S(6), one S(8), and one S(9) atom. In the sixth Pr site, Pr(6) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(18), one S(22), one S(23), one S(5), one S(6), and one S(7) atom. In the seventh Pr site, Pr(7) is bonded in a 8-coordinate geometry to one S(16), one S(20), one S(24), one S(26), one S(4), one S(6), one S(7), and one S(8) atom. In the eighth Pr site, Pr(8) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(23), one S(25), one S(3), one S(5), one S(7), and one S(8) atom. In the ninth Pr site, Pr(9) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(2), one S(21), one S(26), one S(28), one S(5), and one S(9) atom. In the tenth Pr site, Pr(10) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(15), one S(22), one S(25), one S(27), one S(6), and one S(9) atom. In the eleventh Pr site, Pr(11) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(16), one S(18), one S(2), one S(24), one S(28), and one S(3) atom. In the twelfth Pr site, Pr(12) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(12), one S(15), one S(17), one S(23), one S(27), and one S(4) atom. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(13), one S(17), one S(19), and one S(21) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(14), one S(18), one S(20), and one S(22) atom. In the third Ge site, Ge(3) is bonded in a tetrahedral geometry to one S(16), one S(23), one S(25), and one S(27) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one S(15), one S(24), one S(26), and one S(28) atom. In the fifth Ge site, Ge(5) is bonded in an octahedral geometry to one S(10), one S(12), one S(2), one S(3), one S(5), and one S(7) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1), one Pr(10), one Pr(12), and one Pr(2) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra, corners with two equivalent S(15)Pr3Ge tetrahedra,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid, corners with two equivalent S(27)Pr3Ge trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(17)Pr3Ge trigonal pyramid,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(9)Pr4 trigonal pyramid. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(11), one Pr(2), one Pr(9), and one Ge(5) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Pr(11), one Pr(3), one Pr(4), one Pr(8), and one Ge(5) atom. In the fourth S site, S(4) is bonded to one Pr(12), one Pr(3), one Pr(4), and one Pr(7) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(20)Pr3Ge trigonal pyramid,  an edgeedge with one S(27)Pr3Ge trigonal pyramid,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(8)Pr4 trigonal pyramid. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Pr(5), one Pr(6), one Pr(8), one Pr(9), and one Ge(5) atom. In the sixth S site, S(6) is bonded to one Pr(10), one Pr(5), one Pr(6), and one Pr(7) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(8)Pr4 trigonal pyramid, and  an edgeedge with one S(9)Pr4 trigonal pyramid. In the seventh S site, S(7) is bonded to one Pr(4), one Pr(6), one Pr(7), one Pr(8), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(13)Pr3Ge tetrahedra, corners with two equivalent S(8)Pr4 trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(20)Pr3Ge trigonal pyramid,  an edgeedge with one S(4)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the eighth S site, S(8) is bonded to one Pr(3), one Pr(5), one Pr(7), and one Pr(8) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(14)Pr3Ge tetrahedra, corners with two equivalent S(7)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(4)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the ninth S site, S(9) is bonded to one Pr(10), one Pr(2), one Pr(5), and one Pr(9) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(10)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the tenth S site, S(10) is bonded to one Pr(1), one Pr(10), one Pr(6), one Pr(9), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid, corners with two equivalent S(9)Pr4 trigonal pyramids,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the eleventh S site, S(11) is bonded to one Pr(11), one Pr(12), one Pr(2), and one Pr(3) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(12)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(27)Pr3Ge trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twelfth S site, S(12) is bonded to one Pr(1), one Pr(11), one Pr(12), one Pr(4), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid, corners with two equivalent S(11)Pr4 trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(17)Pr3Ge trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the thirteenth S site, S(13) is bonded to one Pr(2), one Pr(4), one Pr(6), and one Ge(1) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid, corners with two equivalent S(7)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, and  an edgeedge with one S(20)Pr3Ge trigonal pyramid. In the fourteenth S site, S(14) is bonded to one Pr(1), one Pr(3), one Pr(5), and one Ge(2) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(8)Pr4 trigonal pyramids, and  an edgeedge with one S(17)Pr3Ge trigonal pyramid. In the fifteenth S site, S(15) is bonded to one Pr(10), one Pr(12), one Pr(8), and one Ge(4) atom to form distorted SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(7)Pr4Ge trigonal bipyramid,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(1)Pr4 trigonal pyramids, and  an edgeedge with one S(27)Pr3Ge trigonal pyramid. In the sixteenth S site, S(16) is bonded to one Pr(11), one Pr(7), one Pr(9), and one Ge(3) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(7)Pr4Ge trigonal bipyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid, and  a cornercorner with one S(9)Pr4 trigonal pyramid. In the seventeenth S site, S(17) is bonded to one Pr(1), one Pr(12), one Pr(5), and one Ge(1) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(14)Pr3Ge tetrahedra,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid, and  an edgeedge with one S(1)Pr4 trigonal pyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(2), one Pr(6), and one Ge(2) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(3), one Pr(8), and one Ge(1) atom. In the twentieth S site, S(20) is bonded to one Pr(2), one Pr(4), one Pr(7), and one Ge(2) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(13)Pr3Ge tetrahedra,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one Pr(3), one Pr(5), one Pr(9), and one Ge(1) atom. In the twenty-second S site, S(22) is bonded in a distorted rectangular see-saw-like geometry to one Pr(10), one Pr(4), one Pr(6), and one Ge(2) atom. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one Pr(12), one Pr(6), one Pr(8), and one Ge(3) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(5), one Pr(7), and one Ge(4) atom. In the twenty-fifth S site, S(25) is bonded in a distorted rectangular see-saw-like geometry to one Pr(10), one Pr(2), one Pr(8), and one Ge(3) atom. In the twenty-sixth S site, S(26) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(7), one Pr(9), and one Ge(4) atom. In the twenty-seventh S site, S(27) is bonded to one Pr(10), one Pr(12), one Pr(3), and one Ge(3) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(1)Pr4 trigonal pyramids,  an edgeedge with one S(15)Pr3Ge tetrahedra,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(4), one Pr(9), and one Ge(4) atom. is represented by the CIF card [CIF]
data_Pr12Ge5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.239
_cell_length_b   11.732
_cell_length_c   11.789
_cell_angle_alpha   119.783
_cell_angle_beta   115.741
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   1064.165
_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
  Pr  Pr0  1  0.131  0.297  0.367  1.0
  Pr  Pr1  1  0.125  0.810  0.348  1.0
  Pr  Pr2  1  0.227  0.573  0.878  1.0
  Pr  Pr3  1  0.233  0.050  0.868  1.0
  Pr  Pr4  1  0.654  0.523  0.780  1.0
  Pr  Pr5  1  0.634  0.994  0.759  1.0
  Pr  Pr6  1  0.880  0.693  0.654  1.0
  Pr  Pr7  1  0.863  0.200  0.633  1.0
  Pr  Pr8  1  0.769  0.450  0.136  1.0
  Pr  Pr9  1  0.777  0.929  0.121  1.0
  Pr  Pr10  1  0.365  0.496  0.230  1.0
  Pr  Pr11  1  0.346  0.981  0.223  1.0
  Ge  Ge12  1  0.341  0.251  0.674  1.0
  Ge  Ge13  1  0.326  0.744  0.661  1.0
  Ge  Ge14  1  0.669  0.836  0.336  1.0
  Ge  Ge15  1  0.664  0.331  0.330  1.0
  Ge  Ge16  1  0.998  0.234  1.000  1.0
  S  S17  1  0.096  0.004  0.268  1.0
  S  S18  1  0.085  0.458  0.228  1.0
  S  S19  1  0.141  0.302  0.914  1.0
  S  S20  1  0.171  0.821  0.906  1.0
  S  S21  1  0.769  0.274  0.856  1.0
  S  S22  1  0.736  0.781  0.827  1.0
  S  S23  1  0.916  0.004  0.763  1.0
  S  S24  1  0.907  0.486  0.740  1.0
  S  S25  1  0.835  0.664  0.096  1.0
  S  S26  1  0.846  0.162  0.081  1.0
  S  S27  1  0.261  0.700  0.167  1.0
  S  S28  1  0.237  0.198  0.153  1.0
  S  S29  1  0.336  0.063  0.669  1.0
  S  S30  1  0.333  0.561  0.666  1.0
  S  S31  1  0.658  0.140  0.318  1.0
  S  S32  1  0.674  0.656  0.347  1.0
  S  S33  1  0.429  0.256  0.533  1.0
  S  S34  1  0.398  0.743  0.508  1.0
  S  S35  1  0.115  0.291  0.603  1.0
  S  S36  1  0.098  0.776  0.572  1.0
  S  S37  1  0.482  0.442  0.900  1.0
  S  S38  1  0.479  0.933  0.889  1.0
  S  S39  1  0.585  0.984  0.481  1.0
  S  S40  1  0.581  0.478  0.474  1.0
  S  S41  1  0.896  0.955  0.420  1.0
  S  S42  1  0.893  0.446  0.412  1.0
  S  S43  1  0.524  0.798  0.108  1.0
  S  S44  1  0.519  0.294  0.102  1.0
[/CIF]
.
The crystal structure described by Pr12Ge5S28 crystallizes in the triclinic P1 space group. There are twelve inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(12), one S(14), one S(17), one S(19), one S(2), and one S(26) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(13), one S(18), one S(2), one S(20), one S(25), and one S(9) atom. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one S(11), one S(14), one S(19), one S(21), one S(27), one S(3), one S(4), and one S(8) atom. In the fourth Pr site, Pr(4) is bonded in a 8-coordinate geometry to one S(12), one S(13), one S(20), one S(22), one S(28), one S(3), one S(4), and one S(7) atom. In the fifth Pr site, Pr(5) is bonded in a 8-coordinate geometry to one S(14), one S(17), one S(21), one S(24), one S(5), one S(6), one S(8), and one S(9) atom. In the sixth Pr site, Pr(6) is bonded in a 8-coordinate geometry to one S(10), one S(13), one S(18), one S(22), one S(23), one S(5), one S(6), and one S(7) atom. In the seventh Pr site, Pr(7) is bonded in a 8-coordinate geometry to one S(16), one S(20), one S(24), one S(26), one S(4), one S(6), one S(7), and one S(8) atom. In the eighth Pr site, Pr(8) is bonded in a 8-coordinate geometry to one S(15), one S(19), one S(23), one S(25), one S(3), one S(5), one S(7), and one S(8) atom. In the ninth Pr site, Pr(9) is bonded in a 8-coordinate geometry to one S(10), one S(16), one S(2), one S(21), one S(26), one S(28), one S(5), and one S(9) atom. In the tenth Pr site, Pr(10) is bonded in a 8-coordinate geometry to one S(1), one S(10), one S(15), one S(22), one S(25), one S(27), one S(6), and one S(9) atom. In the eleventh Pr site, Pr(11) is bonded in a 8-coordinate geometry to one S(11), one S(12), one S(16), one S(18), one S(2), one S(24), one S(28), and one S(3) atom. In the twelfth Pr site, Pr(12) is bonded in a 8-coordinate geometry to one S(1), one S(11), one S(12), one S(15), one S(17), one S(23), one S(27), and one S(4) atom. There are five inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one S(13), one S(17), one S(19), and one S(21) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one S(14), one S(18), one S(20), and one S(22) atom. In the third Ge site, Ge(3) is bonded in a tetrahedral geometry to one S(16), one S(23), one S(25), and one S(27) atom. In the fourth Ge site, Ge(4) is bonded in a tetrahedral geometry to one S(15), one S(24), one S(26), and one S(28) atom. In the fifth Ge site, Ge(5) is bonded in an octahedral geometry to one S(10), one S(12), one S(2), one S(3), one S(5), and one S(7) atom. There are twenty-eight inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1), one Pr(10), one Pr(12), and one Pr(2) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra, corners with two equivalent S(15)Pr3Ge tetrahedra,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid, corners with two equivalent S(27)Pr3Ge trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(17)Pr3Ge trigonal pyramid,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(9)Pr4 trigonal pyramid. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(11), one Pr(2), one Pr(9), and one Ge(5) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to one Pr(11), one Pr(3), one Pr(4), one Pr(8), and one Ge(5) atom. In the fourth S site, S(4) is bonded to one Pr(12), one Pr(3), one Pr(4), and one Pr(7) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(20)Pr3Ge trigonal pyramid,  an edgeedge with one S(27)Pr3Ge trigonal pyramid,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(8)Pr4 trigonal pyramid. In the fifth S site, S(5) is bonded in a 5-coordinate geometry to one Pr(5), one Pr(6), one Pr(8), one Pr(9), and one Ge(5) atom. In the sixth S site, S(6) is bonded to one Pr(10), one Pr(5), one Pr(6), and one Pr(7) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(8)Pr4 trigonal pyramid, and  an edgeedge with one S(9)Pr4 trigonal pyramid. In the seventh S site, S(7) is bonded to one Pr(4), one Pr(6), one Pr(7), one Pr(8), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(13)Pr3Ge tetrahedra, corners with two equivalent S(8)Pr4 trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(20)Pr3Ge trigonal pyramid,  an edgeedge with one S(4)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the eighth S site, S(8) is bonded to one Pr(3), one Pr(5), one Pr(7), and one Pr(8) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(14)Pr3Ge tetrahedra, corners with two equivalent S(7)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(4)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the ninth S site, S(9) is bonded to one Pr(10), one Pr(2), one Pr(5), and one Pr(9) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(10)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the tenth S site, S(10) is bonded to one Pr(1), one Pr(10), one Pr(6), one Pr(9), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid, corners with two equivalent S(9)Pr4 trigonal pyramids,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(6)Pr4 trigonal pyramid. In the eleventh S site, S(11) is bonded to one Pr(11), one Pr(12), one Pr(2), and one Pr(3) atom to form distorted SPr4 trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra, corners with two equivalent S(12)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(27)Pr3Ge trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twelfth S site, S(12) is bonded to one Pr(1), one Pr(11), one Pr(12), one Pr(4), and one Ge(5) atom to form distorted SPr4Ge trigonal bipyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid, corners with two equivalent S(11)Pr4 trigonal pyramids,  an edgeedge with one S(10)Pr4Ge trigonal bipyramid,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid,  an edgeedge with one S(17)Pr3Ge trigonal pyramid,  an edgeedge with one S(1)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the thirteenth S site, S(13) is bonded to one Pr(2), one Pr(4), one Pr(6), and one Ge(1) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid, corners with two equivalent S(7)Pr4Ge trigonal bipyramids,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, and  an edgeedge with one S(20)Pr3Ge trigonal pyramid. In the fourteenth S site, S(14) is bonded to one Pr(1), one Pr(3), one Pr(5), and one Ge(2) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(8)Pr4 trigonal pyramids, and  an edgeedge with one S(17)Pr3Ge trigonal pyramid. In the fifteenth S site, S(15) is bonded to one Pr(10), one Pr(12), one Pr(8), and one Ge(4) atom to form distorted SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(7)Pr4Ge trigonal bipyramid,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(1)Pr4 trigonal pyramids, and  an edgeedge with one S(27)Pr3Ge trigonal pyramid. In the sixteenth S site, S(16) is bonded to one Pr(11), one Pr(7), one Pr(9), and one Ge(3) atom to form SPr3Ge tetrahedra that share  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(7)Pr4Ge trigonal bipyramid,  a cornercorner with one S(20)Pr3Ge trigonal pyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid, and  a cornercorner with one S(9)Pr4 trigonal pyramid. In the seventeenth S site, S(17) is bonded to one Pr(1), one Pr(12), one Pr(5), and one Ge(1) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(13)Pr3Ge tetrahedra,  a cornercorner with one S(15)Pr3Ge tetrahedra,  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(27)Pr3Ge trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(4)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(14)Pr3Ge tetrahedra,  an edgeedge with one S(12)Pr4Ge trigonal bipyramid, and  an edgeedge with one S(1)Pr4 trigonal pyramid. In the eighteenth S site, S(18) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(2), one Pr(6), and one Ge(2) atom. In the nineteenth S site, S(19) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(3), one Pr(8), and one Ge(1) atom. In the twentieth S site, S(20) is bonded to one Pr(2), one Pr(4), one Pr(7), and one Ge(2) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(1)Pr4 trigonal pyramid,  a cornercorner with one S(11)Pr4 trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid,  an edgeedge with one S(13)Pr3Ge tetrahedra,  an edgeedge with one S(7)Pr4Ge trigonal bipyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twenty-first S site, S(21) is bonded in a distorted rectangular see-saw-like geometry to one Pr(3), one Pr(5), one Pr(9), and one Ge(1) atom. In the twenty-second S site, S(22) is bonded in a distorted rectangular see-saw-like geometry to one Pr(10), one Pr(4), one Pr(6), and one Ge(2) atom. In the twenty-third S site, S(23) is bonded in a distorted rectangular see-saw-like geometry to one Pr(12), one Pr(6), one Pr(8), and one Ge(3) atom. In the twenty-fourth S site, S(24) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(5), one Pr(7), and one Ge(4) atom. In the twenty-fifth S site, S(25) is bonded in a distorted rectangular see-saw-like geometry to one Pr(10), one Pr(2), one Pr(8), and one Ge(3) atom. In the twenty-sixth S site, S(26) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pr(7), one Pr(9), and one Ge(4) atom. In the twenty-seventh S site, S(27) is bonded to one Pr(10), one Pr(12), one Pr(3), and one Ge(3) atom to form distorted SPr3Ge trigonal pyramids that share  a cornercorner with one S(14)Pr3Ge tetrahedra,  a cornercorner with one S(16)Pr3Ge tetrahedra,  a cornercorner with one S(10)Pr4Ge trigonal bipyramid,  a cornercorner with one S(12)Pr4Ge trigonal bipyramid,  a cornercorner with one S(17)Pr3Ge trigonal pyramid,  a cornercorner with one S(6)Pr4 trigonal pyramid,  a cornercorner with one S(8)Pr4 trigonal pyramid,  a cornercorner with one S(9)Pr4 trigonal pyramid, corners with two equivalent S(1)Pr4 trigonal pyramids,  an edgeedge with one S(15)Pr3Ge tetrahedra,  an edgeedge with one S(11)Pr4 trigonal pyramid, and  an edgeedge with one S(4)Pr4 trigonal pyramid. In the twenty-eighth S site, S(28) is bonded in a distorted rectangular see-saw-like geometry to one Pr(11), one Pr(4), one Pr(9), and one Ge(4) atom. is represented by the CIF card [CIF]
data_Pr12Ge5S28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.239
_cell_length_b   11.732
_cell_length_c   11.789
_cell_angle_alpha   119.783
_cell_angle_beta   115.741
_cell_angle_gamma   90.003
_symmetry_Int_Tables_number   1
_cell_volume   1064.165
_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
  Pr  Pr0  1  0.131  0.297  0.367  1.0
  Pr  Pr1  1  0.125  0.810  0.348  1.0
  Pr  Pr2  1  0.227  0.573  0.878  1.0
  Pr  Pr3  1  0.233  0.050  0.868  1.0
  Pr  Pr4  1  0.654  0.523  0.780  1.0
  Pr  Pr5  1  0.634  0.994  0.759  1.0
  Pr  Pr6  1  0.880  0.693  0.654  1.0
  Pr  Pr7  1  0.863  0.200  0.633  1.0
  Pr  Pr8  1  0.769  0.450  0.136  1.0
  Pr  Pr9  1  0.777  0.929  0.121  1.0
  Pr  Pr10  1  0.365  0.496  0.230  1.0
  Pr  Pr11  1  0.346  0.981  0.223  1.0
  Ge  Ge12  1  0.341  0.251  0.674  1.0
  Ge  Ge13  1  0.326  0.744  0.661  1.0
  Ge  Ge14  1  0.669  0.836  0.336  1.0
  Ge  Ge15  1  0.664  0.331  0.330  1.0
  Ge  Ge16  1  0.998  0.234  1.000  1.0
  S  S17  1  0.096  0.004  0.268  1.0
  S  S18  1  0.085  0.458  0.228  1.0
  S  S19  1  0.141  0.302  0.914  1.0
  S  S20  1  0.171  0.821  0.906  1.0
  S  S21  1  0.769  0.274  0.856  1.0
  S  S22  1  0.736  0.781  0.827  1.0
  S  S23  1  0.916  0.004  0.763  1.0
  S  S24  1  0.907  0.486  0.740  1.0
  S  S25  1  0.835  0.664  0.096  1.0
  S  S26  1  0.846  0.162  0.081  1.0
  S  S27  1  0.261  0.700  0.167  1.0
  S  S28  1  0.237  0.198  0.153  1.0
  S  S29  1  0.336  0.063  0.669  1.0
  S  S30  1  0.333  0.561  0.666  1.0
  S  S31  1  0.658  0.140  0.318  1.0
  S  S32  1  0.674  0.656  0.347  1.0
  S  S33  1  0.429  0.256  0.533  1.0
  S  S34  1  0.398  0.743  0.508  1.0
  S  S35  1  0.115  0.291  0.603  1.0
  S  S36  1  0.098  0.776  0.572  1.0
  S  S37  1  0.482  0.442  0.900  1.0
  S  S38  1  0.479  0.933  0.889  1.0
  S  S39  1  0.585  0.984  0.481  1.0
  S  S40  1  0.581  0.478  0.474  1.0
  S  S41  1  0.896  0.955  0.420  1.0
  S  S42  1  0.893  0.446  0.412  1.0
  S  S43  1  0.524  0.798  0.108  1.0
  S  S44  1  0.519  0.294  0.102  1.0
[/CIF]
.