The crystal structure described by La12Mn3(AlSe7)4 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 Se(13), one Se(15), one Se(18), one Se(19), one Se(27), one Se(28), one Se(4), and one Se(7) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Se(14), one Se(16), one Se(17), one Se(20), one Se(27), one Se(28), one Se(3), and one Se(8) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Se(10), one Se(11), one Se(15), one Se(20), one Se(22), one Se(23), one Se(24), and one Se(4) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one Se(12), one Se(16), one Se(19), one Se(21), one Se(23), one Se(24), one Se(3), and one Se(9) atom. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one Se(11), one Se(13), one Se(18), one Se(21), one Se(25), one Se(26), one Se(4), and one Se(6) atom. In the sixth La site, La(6) is bonded in a 8-coordinate geometry to one Se(12), one Se(14), one Se(17), one Se(22), one Se(25), one Se(26), one Se(3), and one Se(5) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one Se(10), one Se(13), one Se(2), one Se(21), one Se(22), one Se(24), one Se(25), and one Se(8) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one Se(1), one Se(14), one Se(21), one Se(22), one Se(23), one Se(26), one Se(7), and one Se(9) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one Se(10), one Se(16), one Se(17), one Se(18), one Se(2), one Se(26), one Se(28), and one Se(6) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one Se(1), one Se(15), one Se(17), one Se(18), one Se(25), one Se(27), one Se(5), and one Se(9) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one Se(12), one Se(19), one Se(2), one Se(20), one Se(24), one Se(27), one Se(6), and one Se(8) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one Se(1), one Se(11), one Se(19), one Se(20), one Se(23), one Se(28), one Se(5), and one Se(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Se(18), one Se(19), one Se(21), one Se(23), one Se(26), and one Se(28) atom to form face-sharing MnSe6 octahedra. In the second Mn site, Mn(2) is bonded to one Se(17), one Se(20), one Se(22), one Se(24), one Se(25), and one Se(27) atom to form face-sharing MnSe6 octahedra. In the third Mn site, Mn(3) is bonded to one Se(18), one Se(19), one Se(21), one Se(24), one Se(25), and one Se(27) atom to form face-sharing MnSe6 octahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Se(2), one Se(5), one Se(7), and one Se(9) atom. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Se(1), one Se(10), one Se(6), and one Se(8) atom. In the third Al site, Al(3) is bonded in a tetrahedral geometry to one Se(11), one Se(13), one Se(15), and one Se(3) atom. In the fourth Al site, Al(4) is bonded in a tetrahedral geometry to one Se(12), one Se(14), one Se(16), and one Se(4) atom. There are twenty-eight inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(10), one La(12), one La(8), and one Al(2) atom to form corner-sharing SeLa3Al tetrahedra. In the second Se site, Se(2) is bonded to one La(11), one La(7), one La(9), and one Al(1) atom to form corner-sharing SeLa3Al tetrahedra. In the third Se site, Se(3) is bonded to one La(2), one La(4), one La(6), and one Al(3) atom to form corner-sharing SeLa3Al tetrahedra. In the fourth Se site, Se(4) is bonded to one La(1), one La(3), one La(5), and one Al(4) atom to form corner-sharing SeLa3Al tetrahedra. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(6), and one Al(1) atom. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one La(11), one La(5), one La(9), and one Al(2) atom. In the seventh Se site, Se(7) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(12), one La(8), and one Al(1) atom. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(2), one La(7), and one Al(2) atom. In the ninth Se site, Se(9) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(4), one La(8), and one Al(1) atom. In the tenth Se site, Se(10) is bonded in a distorted rectangular see-saw-like geometry to one La(3), one La(7), one La(9), and one Al(2) atom. In the eleventh Se site, Se(11) is bonded in a distorted rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one Al(3) atom. In the twelfth Se site, Se(12) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(4), one La(6), and one Al(4) atom. In the thirteenth Se site, Se(13) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(5), one La(7), and one Al(3) atom. In the fourteenth Se site, Se(14) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(6), one La(8), and one Al(4) atom. In the fifteenth Se site, Se(15) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(10), one La(3), and one Al(3) atom. In the sixteenth Se site, Se(16) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(9), and one Al(4) atom. In the seventeenth Se site, Se(17) is bonded to one La(10), one La(2), one La(6), one La(9), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra, corners with two equivalent Se(3)La3Al tetrahedra,  an edgeedge with one Se(20)La4Mn trigonal bipyramid, and  an edgeedge with one Se(22)La4Mn trigonal bipyramid. In the eighteenth Se site, Se(18) is bonded in a 6-coordinate geometry to one La(1), one La(10), one La(5), one La(9), one Mn(1), and one Mn(3) atom. In the nineteenth Se site, Se(19) is bonded in a 6-coordinate geometry to one La(1), one La(11), one La(12), one La(4), one Mn(1), and one Mn(3) atom. In the twentieth Se site, Se(20) is bonded to one La(11), one La(12), one La(2), one La(3), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra,  a cornercorner with one Se(3)La3Al tetrahedra,  a cornercorner with one Se(4)La3Al tetrahedra,  an edgeedge with one Se(17)La4Mn trigonal bipyramid, and  an edgeedge with one Se(22)La4Mn trigonal bipyramid. In the twenty-first Se site, Se(21) is bonded in a 6-coordinate geometry to one La(4), one La(5), one La(7), one La(8), one Mn(1), and one Mn(3) atom. In the twenty-second Se site, Se(22) is bonded to one La(3), one La(6), one La(7), one La(8), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra,  a cornercorner with one Se(3)La3Al tetrahedra,  a cornercorner with one Se(4)La3Al tetrahedra,  an edgeedge with one Se(17)La4Mn trigonal bipyramid, and  an edgeedge with one Se(20)La4Mn trigonal bipyramid. In the twenty-third Se site, Se(23) is bonded in a 5-coordinate geometry to one La(12), one La(3), one La(4), one La(8), and one Mn(1) atom. In the twenty-fourth Se site, Se(24) is bonded in a 6-coordinate geometry to one La(11), one La(3), one La(4), one La(7), one Mn(2), and one Mn(3) atom. In the twenty-fifth Se site, Se(25) is bonded in a 6-coordinate geometry to one La(10), one La(5), one La(6), one La(7), one Mn(2), and one Mn(3) atom. In the twenty-sixth Se site, Se(26) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), and one Mn(1) atom. In the twenty-seventh Se site, Se(27) is bonded in a 6-coordinate geometry to one La(1), one La(10), one La(11), one La(2), one Mn(2), and one Mn(3) atom. In the twenty-eighth Se site, Se(28) is bonded in a 5-coordinate geometry to one La(1), one La(12), one La(2), one La(9), and one Mn(1) atom. is represented by the CIF file [CIF]
data_La12Mn3(AlSe7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.687
_cell_length_b   12.403
_cell_length_c   12.409
_cell_angle_alpha   60.946
_cell_angle_beta   64.546
_cell_angle_gamma   64.528
_symmetry_Int_Tables_number   1
_cell_volume   1246.140
_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  0.375  0.795  0.066  1.0
  La  La1  1  0.368  0.301  0.564  1.0
  La  La2  1  0.765  0.553  0.815  1.0
  La  La3  1  0.765  0.052  0.323  1.0
  La  La4  1  0.861  0.747  0.018  1.0
  La  La5  1  0.866  0.251  0.515  1.0
  La  La6  1  0.626  0.190  0.948  1.0
  La  La7  1  0.632  0.683  0.453  1.0
  La  La8  1  0.231  0.430  0.202  1.0
  La  La9  1  0.237  0.934  0.691  1.0
  La  La10  1  0.137  0.240  0.997  1.0
  La  La11  1  0.137  0.730  0.500  1.0
  Mn  Mn12  1  1.000  0.740  0.260  1.0
  Mn  Mn13  1  0.000  0.261  0.739  1.0
  Mn  Mn14  1  0.000  0.001  0.999  1.0
  Al  Al15  1  0.332  0.992  0.341  1.0
  Al  Al16  1  0.334  0.492  0.842  1.0
  Al  Al17  1  0.668  0.908  0.758  1.0
  Al  Al18  1  0.666  0.408  0.259  1.0
  Se  Se19  1  0.334  0.679  0.653  1.0
  Se  Se20  1  0.333  0.180  0.154  1.0
  Se  Se21  1  0.665  0.099  0.573  1.0
  Se  Se22  1  0.669  0.593  0.069  1.0
  Se  Se23  1  0.095  0.991  0.490  1.0
  Se  Se24  1  0.099  0.495  0.992  1.0
  Se  Se25  1  0.419  0.799  0.298  1.0
  Se  Se26  1  0.418  0.300  0.796  1.0
  Se  Se27  1  0.487  0.959  0.455  1.0
  Se  Se28  1  0.482  0.463  0.961  1.0
  Se  Se29  1  0.904  0.758  0.756  1.0
  Se  Se30  1  0.903  0.259  0.256  1.0
  Se  Se31  1  0.583  0.953  0.950  1.0
  Se  Se32  1  0.582  0.453  0.451  1.0
  Se  Se33  1  0.514  0.793  0.789  1.0
  Se  Se34  1  0.514  0.292  0.291  1.0
  Se  Se35  1  0.153  0.246  0.514  1.0
  Se  Se36  1  0.145  0.766  0.002  1.0
  Se  Se37  1  0.087  0.954  0.191  1.0
  Se  Se38  1  0.084  0.441  0.711  1.0
  Se  Se39  1  0.769  0.924  0.162  1.0
  Se  Se40  1  0.762  0.408  0.678  1.0
  Se  Se41  1  0.851  0.757  0.484  1.0
  Se  Se42  1  0.854  0.243  0.989  1.0
  Se  Se43  1  0.915  0.056  0.799  1.0
  Se  Se44  1  0.908  0.562  0.289  1.0
  Se  Se45  1  0.231  0.086  0.829  1.0
  Se  Se46  1  0.240  0.591  0.318  1.0
[/CIF]
.
The crystal structure described by La12Mn3(AlSe7)4 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 Se(13), one Se(15), one Se(18), one Se(19), one Se(27), one Se(28), one Se(4), and one Se(7) atom. In the second La site, La(2) is bonded in a 8-coordinate geometry to one Se(14), one Se(16), one Se(17), one Se(20), one Se(27), one Se(28), one Se(3), and one Se(8) atom. In the third La site, La(3) is bonded in a 8-coordinate geometry to one Se(10), one Se(11), one Se(15), one Se(20), one Se(22), one Se(23), one Se(24), and one Se(4) atom. In the fourth La site, La(4) is bonded in a 8-coordinate geometry to one Se(12), one Se(16), one Se(19), one Se(21), one Se(23), one Se(24), one Se(3), and one Se(9) atom. In the fifth La site, La(5) is bonded in a 8-coordinate geometry to one Se(11), one Se(13), one Se(18), one Se(21), one Se(25), one Se(26), one Se(4), and one Se(6) atom. In the sixth La site, La(6) is bonded in a 8-coordinate geometry to one Se(12), one Se(14), one Se(17), one Se(22), one Se(25), one Se(26), one Se(3), and one Se(5) atom. In the seventh La site, La(7) is bonded in a 8-coordinate geometry to one Se(10), one Se(13), one Se(2), one Se(21), one Se(22), one Se(24), one Se(25), and one Se(8) atom. In the eighth La site, La(8) is bonded in a 8-coordinate geometry to one Se(1), one Se(14), one Se(21), one Se(22), one Se(23), one Se(26), one Se(7), and one Se(9) atom. In the ninth La site, La(9) is bonded in a 8-coordinate geometry to one Se(10), one Se(16), one Se(17), one Se(18), one Se(2), one Se(26), one Se(28), and one Se(6) atom. In the tenth La site, La(10) is bonded in a 8-coordinate geometry to one Se(1), one Se(15), one Se(17), one Se(18), one Se(25), one Se(27), one Se(5), and one Se(9) atom. In the eleventh La site, La(11) is bonded in a 8-coordinate geometry to one Se(12), one Se(19), one Se(2), one Se(20), one Se(24), one Se(27), one Se(6), and one Se(8) atom. In the twelfth La site, La(12) is bonded in a 8-coordinate geometry to one Se(1), one Se(11), one Se(19), one Se(20), one Se(23), one Se(28), one Se(5), and one Se(7) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one Se(18), one Se(19), one Se(21), one Se(23), one Se(26), and one Se(28) atom to form face-sharing MnSe6 octahedra. In the second Mn site, Mn(2) is bonded to one Se(17), one Se(20), one Se(22), one Se(24), one Se(25), and one Se(27) atom to form face-sharing MnSe6 octahedra. In the third Mn site, Mn(3) is bonded to one Se(18), one Se(19), one Se(21), one Se(24), one Se(25), and one Se(27) atom to form face-sharing MnSe6 octahedra. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Se(2), one Se(5), one Se(7), and one Se(9) atom. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Se(1), one Se(10), one Se(6), and one Se(8) atom. In the third Al site, Al(3) is bonded in a tetrahedral geometry to one Se(11), one Se(13), one Se(15), and one Se(3) atom. In the fourth Al site, Al(4) is bonded in a tetrahedral geometry to one Se(12), one Se(14), one Se(16), and one Se(4) atom. There are twenty-eight inequivalent Se sites. In the first Se site, Se(1) is bonded to one La(10), one La(12), one La(8), and one Al(2) atom to form corner-sharing SeLa3Al tetrahedra. In the second Se site, Se(2) is bonded to one La(11), one La(7), one La(9), and one Al(1) atom to form corner-sharing SeLa3Al tetrahedra. In the third Se site, Se(3) is bonded to one La(2), one La(4), one La(6), and one Al(3) atom to form corner-sharing SeLa3Al tetrahedra. In the fourth Se site, Se(4) is bonded to one La(1), one La(3), one La(5), and one Al(4) atom to form corner-sharing SeLa3Al tetrahedra. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(12), one La(6), and one Al(1) atom. In the sixth Se site, Se(6) is bonded in a rectangular see-saw-like geometry to one La(11), one La(5), one La(9), and one Al(2) atom. In the seventh Se site, Se(7) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(12), one La(8), and one Al(1) atom. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(2), one La(7), and one Al(2) atom. In the ninth Se site, Se(9) is bonded in a distorted rectangular see-saw-like geometry to one La(10), one La(4), one La(8), and one Al(1) atom. In the tenth Se site, Se(10) is bonded in a distorted rectangular see-saw-like geometry to one La(3), one La(7), one La(9), and one Al(2) atom. In the eleventh Se site, Se(11) is bonded in a distorted rectangular see-saw-like geometry to one La(12), one La(3), one La(5), and one Al(3) atom. In the twelfth Se site, Se(12) is bonded in a distorted rectangular see-saw-like geometry to one La(11), one La(4), one La(6), and one Al(4) atom. In the thirteenth Se site, Se(13) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(5), one La(7), and one Al(3) atom. In the fourteenth Se site, Se(14) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(6), one La(8), and one Al(4) atom. In the fifteenth Se site, Se(15) is bonded in a distorted rectangular see-saw-like geometry to one La(1), one La(10), one La(3), and one Al(3) atom. In the sixteenth Se site, Se(16) is bonded in a distorted rectangular see-saw-like geometry to one La(2), one La(4), one La(9), and one Al(4) atom. In the seventeenth Se site, Se(17) is bonded to one La(10), one La(2), one La(6), one La(9), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra, corners with two equivalent Se(3)La3Al tetrahedra,  an edgeedge with one Se(20)La4Mn trigonal bipyramid, and  an edgeedge with one Se(22)La4Mn trigonal bipyramid. In the eighteenth Se site, Se(18) is bonded in a 6-coordinate geometry to one La(1), one La(10), one La(5), one La(9), one Mn(1), and one Mn(3) atom. In the nineteenth Se site, Se(19) is bonded in a 6-coordinate geometry to one La(1), one La(11), one La(12), one La(4), one Mn(1), and one Mn(3) atom. In the twentieth Se site, Se(20) is bonded to one La(11), one La(12), one La(2), one La(3), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra,  a cornercorner with one Se(3)La3Al tetrahedra,  a cornercorner with one Se(4)La3Al tetrahedra,  an edgeedge with one Se(17)La4Mn trigonal bipyramid, and  an edgeedge with one Se(22)La4Mn trigonal bipyramid. In the twenty-first Se site, Se(21) is bonded in a 6-coordinate geometry to one La(4), one La(5), one La(7), one La(8), one Mn(1), and one Mn(3) atom. In the twenty-second Se site, Se(22) is bonded to one La(3), one La(6), one La(7), one La(8), and one Mn(2) atom to form distorted SeLa4Mn trigonal bipyramids that share  a cornercorner with one Se(1)La3Al tetrahedra,  a cornercorner with one Se(2)La3Al tetrahedra,  a cornercorner with one Se(3)La3Al tetrahedra,  a cornercorner with one Se(4)La3Al tetrahedra,  an edgeedge with one Se(17)La4Mn trigonal bipyramid, and  an edgeedge with one Se(20)La4Mn trigonal bipyramid. In the twenty-third Se site, Se(23) is bonded in a 5-coordinate geometry to one La(12), one La(3), one La(4), one La(8), and one Mn(1) atom. In the twenty-fourth Se site, Se(24) is bonded in a 6-coordinate geometry to one La(11), one La(3), one La(4), one La(7), one Mn(2), and one Mn(3) atom. In the twenty-fifth Se site, Se(25) is bonded in a 6-coordinate geometry to one La(10), one La(5), one La(6), one La(7), one Mn(2), and one Mn(3) atom. In the twenty-sixth Se site, Se(26) is bonded in a 5-coordinate geometry to one La(5), one La(6), one La(8), one La(9), and one Mn(1) atom. In the twenty-seventh Se site, Se(27) is bonded in a 6-coordinate geometry to one La(1), one La(10), one La(11), one La(2), one Mn(2), and one Mn(3) atom. In the twenty-eighth Se site, Se(28) is bonded in a 5-coordinate geometry to one La(1), one La(12), one La(2), one La(9), and one Mn(1) atom. is represented by the CIF file [CIF]
data_La12Mn3(AlSe7)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.687
_cell_length_b   12.403
_cell_length_c   12.409
_cell_angle_alpha   60.946
_cell_angle_beta   64.546
_cell_angle_gamma   64.528
_symmetry_Int_Tables_number   1
_cell_volume   1246.140
_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  0.375  0.795  0.066  1.0
  La  La1  1  0.368  0.301  0.564  1.0
  La  La2  1  0.765  0.553  0.815  1.0
  La  La3  1  0.765  0.052  0.323  1.0
  La  La4  1  0.861  0.747  0.018  1.0
  La  La5  1  0.866  0.251  0.515  1.0
  La  La6  1  0.626  0.190  0.948  1.0
  La  La7  1  0.632  0.683  0.453  1.0
  La  La8  1  0.231  0.430  0.202  1.0
  La  La9  1  0.237  0.934  0.691  1.0
  La  La10  1  0.137  0.240  0.997  1.0
  La  La11  1  0.137  0.730  0.500  1.0
  Mn  Mn12  1  1.000  0.740  0.260  1.0
  Mn  Mn13  1  0.000  0.261  0.739  1.0
  Mn  Mn14  1  0.000  0.001  0.999  1.0
  Al  Al15  1  0.332  0.992  0.341  1.0
  Al  Al16  1  0.334  0.492  0.842  1.0
  Al  Al17  1  0.668  0.908  0.758  1.0
  Al  Al18  1  0.666  0.408  0.259  1.0
  Se  Se19  1  0.334  0.679  0.653  1.0
  Se  Se20  1  0.333  0.180  0.154  1.0
  Se  Se21  1  0.665  0.099  0.573  1.0
  Se  Se22  1  0.669  0.593  0.069  1.0
  Se  Se23  1  0.095  0.991  0.490  1.0
  Se  Se24  1  0.099  0.495  0.992  1.0
  Se  Se25  1  0.419  0.799  0.298  1.0
  Se  Se26  1  0.418  0.300  0.796  1.0
  Se  Se27  1  0.487  0.959  0.455  1.0
  Se  Se28  1  0.482  0.463  0.961  1.0
  Se  Se29  1  0.904  0.758  0.756  1.0
  Se  Se30  1  0.903  0.259  0.256  1.0
  Se  Se31  1  0.583  0.953  0.950  1.0
  Se  Se32  1  0.582  0.453  0.451  1.0
  Se  Se33  1  0.514  0.793  0.789  1.0
  Se  Se34  1  0.514  0.292  0.291  1.0
  Se  Se35  1  0.153  0.246  0.514  1.0
  Se  Se36  1  0.145  0.766  0.002  1.0
  Se  Se37  1  0.087  0.954  0.191  1.0
  Se  Se38  1  0.084  0.441  0.711  1.0
  Se  Se39  1  0.769  0.924  0.162  1.0
  Se  Se40  1  0.762  0.408  0.678  1.0
  Se  Se41  1  0.851  0.757  0.484  1.0
  Se  Se42  1  0.854  0.243  0.989  1.0
  Se  Se43  1  0.915  0.056  0.799  1.0
  Se  Se44  1  0.908  0.562  0.289  1.0
  Se  Se45  1  0.231  0.086  0.829  1.0
  Se  Se46  1  0.240  0.591  0.318  1.0
[/CIF]
.