The crystal structure described by K2PbSb9Se15 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(15), two equivalent Se(5), two equivalent Se(7), and three equivalent Se(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Se(13), one Se(2), two equivalent Se(1), two equivalent Se(12), and two equivalent Se(7) atoms. Pb(1) is bonded in a 3-coordinate geometry to one Se(15) and two equivalent Se(5) atoms. There are nine inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Se(9), two equivalent Se(10), and two equivalent Se(12) atoms to form edge-sharing SbSe5 square pyramids. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Se(7) and two equivalent Se(4) atoms. In the third Sb site, Sb(3) is bonded to one Se(3), two equivalent Se(11), and two equivalent Se(14) atoms to form SbSe5 square pyramids that share corners with two equivalent Sb(9)Se6 octahedra,  an edgeedge with one Sb(9)Se6 octahedra, edges with two equivalent Sb(4)Se6 octahedra, and edges with two equivalent Sb(3)Se5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fourth Sb site, Sb(4) is bonded to one Se(14), one Se(6), two equivalent Se(3), and two equivalent Se(8) atoms to form SbSe6 octahedra that share corners with two equivalent Sb(7)Se6 octahedra, edges with two equivalent Sb(4)Se6 octahedra, edges with two equivalent Sb(9)Se6 octahedra, edges with three equivalent Sb(7)Se6 octahedra, and edges with two equivalent Sb(3)Se5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one Se(12), two equivalent Se(2), and two equivalent Se(9) atoms. In the sixth Sb site, Sb(6) is bonded to one Se(10), two equivalent Se(15), and two equivalent Se(9) atoms to form distorted edge-sharing SbSe5 square pyramids. In the seventh Sb site, Sb(7) is bonded to one Se(1), two equivalent Se(6), and three equivalent Se(8) atoms to form a mixture of corner and edge-sharing SbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Se(14), one Se(5), two equivalent Se(11), and two equivalent Se(13) atoms. In the ninth Sb site, Sb(9) is bonded to one Se(13), one Se(8), two equivalent Se(1), and two equivalent Se(14) atoms to form SbSe6 octahedra that share  a cornercorner with one Sb(7)Se6 octahedra, corners with two equivalent Sb(3)Se5 square pyramids, edges with two equivalent Sb(4)Se6 octahedra, edges with two equivalent Sb(7)Se6 octahedra, edges with two equivalent Sb(9)Se6 octahedra, and  an edgeedge with one Sb(3)Se5 square pyramid. The corner-sharing octahedral tilt angles are 1°. There are fifteen inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(2), one Sb(7), and two equivalent Sb(9) atoms to form distorted SeK2Sb3 trigonal bipyramids that share  a cornercorner with one Se(8)Sb6 octahedra, corners with two equivalent Se(12)K2Sb3 square pyramids, corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(14)Sb6 square pyramids, edges with two equivalent Se(8)Sb6 octahedra,  an edgeedge with one Se(12)K2Sb3 square pyramid,  an edgeedge with one Se(7)K4Sb square pyramid,  an edgeedge with one Se(14)Sb6 square pyramid, and edges with two equivalent Se(1)K2Sb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Sb(5) atoms. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Sb(3) and two equivalent Sb(4) atoms. In the fourth Se site, Se(4) is bonded to three equivalent K(1) and two equivalent Sb(2) atoms to form distorted SeK3Sb2 trigonal bipyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with four equivalent Se(5)K2SbPb2 trigonal bipyramids, corners with three equivalent Se(15)KSb2Pb trigonal pyramids, edges with three equivalent Se(7)K4Sb square pyramids,  an edgeedge with one Se(5)K2SbPb2 trigonal bipyramid, and edges with four equivalent Se(4)K3Sb2 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to two equivalent K(1), two equivalent Pb(1), and one Sb(8) atom to form distorted SeK2SbPb2 trigonal bipyramids that share  a cornercorner with one Se(14)Sb6 square pyramid, corners with two equivalent Se(7)K4Sb square pyramids, corners with four equivalent Se(4)K3Sb2 trigonal bipyramids,  an edgeedge with one Se(7)K4Sb square pyramid,  an edgeedge with one Se(4)K3Sb2 trigonal bipyramid, edges with two equivalent Se(5)K2SbPb2 trigonal bipyramids, and edges with two equivalent Se(15)KSb2Pb trigonal pyramids. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Sb(4) and two equivalent Sb(7) atoms. In the seventh Se site, Se(7) is bonded to two equivalent K(1), two equivalent K(2), and one Sb(2) atom to form SeK4Sb square pyramids that share corners with two equivalent Se(12)K2Sb3 square pyramids, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids, corners with two equivalent Se(5)K2SbPb2 trigonal bipyramids, corners with two equivalent Se(4)K3Sb2 trigonal bipyramids, corners with two equivalent Se(15)KSb2Pb trigonal pyramids,  an edgeedge with one Se(12)K2Sb3 square pyramid, edges with two equivalent Se(7)K4Sb square pyramids,  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid,  an edgeedge with one Se(5)K2SbPb2 trigonal bipyramid, and edges with three equivalent Se(4)K3Sb2 trigonal bipyramids. In the eighth Se site, Se(8) is bonded to one Sb(9), two equivalent Sb(4), and three equivalent Sb(7) atoms to form SeSb6 octahedra that share  a cornercorner with one Se(1)K2Sb3 trigonal bipyramid, edges with four equivalent Se(8)Sb6 octahedra, edges with two equivalent Se(14)Sb6 square pyramids, and edges with two equivalent Se(1)K2Sb3 trigonal bipyramids. In the ninth Se site, Se(9) is bonded to one Sb(1), two equivalent Sb(5), and two equivalent Sb(6) atoms to form distorted SeSb5 square pyramids that share corners with two equivalent Se(15)KSb2Pb trigonal pyramids, edges with two equivalent Se(12)K2Sb3 square pyramids, edges with two equivalent Se(9)Sb5 square pyramids, and  an edgeedge with one Se(15)KSb2Pb trigonal pyramid. In the tenth Se site, Se(10) is bonded in a 3-coordinate geometry to one Sb(6) and two equivalent Sb(1) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to two equivalent Sb(3) and two equivalent Sb(8) atoms. In the twelfth Se site, Se(12) is bonded to two equivalent K(2), one Sb(5), and two equivalent Sb(1) atoms to form SeK2Sb3 square pyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids,  an edgeedge with one Se(7)K4Sb square pyramid, edges with two equivalent Se(12)K2Sb3 square pyramids, edges with two equivalent Se(9)Sb5 square pyramids, and  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid. In the thirteenth Se site, Se(13) is bonded in a 3-coordinate geometry to one K(2), one Sb(9), and two equivalent Sb(8) atoms. In the fourteenth Se site, Se(14) is bonded to one Sb(4), one Sb(8), two equivalent Sb(3), and two equivalent Sb(9) atoms to form distorted SeSb6 square pyramids that share  a cornercorner with one Se(5)K2SbPb2 trigonal bipyramid, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids, edges with two equivalent Se(8)Sb6 octahedra, edges with two equivalent Se(14)Sb6 square pyramids, and  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid. In the fifteenth Se site, Se(15) is bonded to one K(1), one Pb(1), and two equivalent Sb(6) atoms to form SeKSb2Pb trigonal pyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(9)Sb5 square pyramids, corners with three equivalent Se(4)K3Sb2 trigonal bipyramids, corners with two equivalent Se(15)KSb2Pb trigonal pyramids,  an edgeedge with one Se(9)Sb5 square pyramid, and edges with two equivalent Se(5)K2SbPb2 trigonal bipyramids. is represented by the CIF file [CIF]
data_K2Sb9PbSe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   17.321
_cell_length_c   22.299
_cell_angle_alpha   80.887
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1611.369
_cell_formula_units_Z   2
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
  K  K0  1  0.250  0.496  0.627  1.0
  K  K1  1  0.750  0.504  0.373  1.0
  K  K2  1  0.250  0.216  0.694  1.0
  K  K3  1  0.750  0.784  0.306  1.0
  Sb  Sb4  1  0.250  0.945  0.706  1.0
  Sb  Sb5  1  0.750  0.055  0.294  1.0
  Sb  Sb6  1  0.250  0.671  0.468  1.0
  Sb  Sb7  1  0.750  0.329  0.532  1.0
  Sb  Sb8  1  0.250  0.390  0.034  1.0
  Sb  Sb9  1  0.750  0.610  0.966  1.0
  Sb  Sb10  1  0.250  0.816  0.947  1.0
  Sb  Sb11  1  0.750  0.184  0.053  1.0
  Sb  Sb12  1  0.250  0.927  0.439  1.0
  Sb  Sb13  1  0.750  0.073  0.561  1.0
  Sb  Sb14  1  0.250  0.196  0.389  1.0
  Sb  Sb15  1  0.750  0.804  0.611  1.0
  Sb  Sb16  1  0.250  0.965  0.091  1.0
  Sb  Sb17  1  0.750  0.035  0.909  1.0
  Sb  Sb18  1  0.250  0.544  0.161  1.0
  Sb  Sb19  1  0.750  0.456  0.839  1.0
  Sb  Sb20  1  0.250  0.243  0.891  1.0
  Sb  Sb21  1  0.750  0.757  0.109  1.0
  Pb  Pb22  1  0.250  0.674  0.768  1.0
  Pb  Pb23  1  0.750  0.326  0.232  1.0
  Se  Se24  1  0.250  0.825  0.170  1.0
  Se  Se25  1  0.750  0.175  0.830  1.0
  Se  Se26  1  0.250  0.176  0.543  1.0
  Se  Se27  1  0.750  0.824  0.457  1.0
  Se  Se28  1  0.250  0.256  0.114  1.0
  Se  Se29  1  0.750  0.744  0.886  1.0
  Se  Se30  1  0.250  0.424  0.494  1.0
  Se  Se31  1  0.750  0.576  0.506  1.0
  Se  Se32  1  0.250  0.436  0.258  1.0
  Se  Se33  1  0.750  0.564  0.742  1.0
  Se  Se34  1  0.250  0.970  0.854  1.0
  Se  Se35  1  0.750  0.030  0.146  1.0
  Se  Se36  1  0.250  0.652  0.358  1.0
  Se  Se37  1  0.750  0.348  0.642  1.0
  Se  Se38  1  0.250  0.110  0.988  1.0
  Se  Se39  1  0.750  0.890  0.012  1.0
  Se  Se40  1  0.250  0.935  0.589  1.0
  Se  Se41  1  0.750  0.065  0.411  1.0
  Se  Se42  1  0.250  0.174  0.272  1.0
  Se  Se43  1  0.750  0.826  0.728  1.0
  Se  Se44  1  0.250  0.542  0.912  1.0
  Se  Se45  1  0.750  0.458  0.088  1.0
  Se  Se46  1  0.250  0.937  0.318  1.0
  Se  Se47  1  0.750  0.063  0.682  1.0
  Se  Se48  1  0.250  0.378  0.795  1.0
  Se  Se49  1  0.750  0.622  0.205  1.0
  Se  Se50  1  0.250  0.685  0.040  1.0
  Se  Se51  1  0.750  0.315  0.960  1.0
  Se  Se52  1  0.250  0.698  0.634  1.0
  Se  Se53  1  0.750  0.302  0.366  1.0
[/CIF]
.
The crystal structure described by K2PbSb9Se15 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(15), two equivalent Se(5), two equivalent Se(7), and three equivalent Se(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one Se(13), one Se(2), two equivalent Se(1), two equivalent Se(12), and two equivalent Se(7) atoms. Pb(1) is bonded in a 3-coordinate geometry to one Se(15) and two equivalent Se(5) atoms. There are nine inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one Se(9), two equivalent Se(10), and two equivalent Se(12) atoms to form edge-sharing SbSe5 square pyramids. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Se(7) and two equivalent Se(4) atoms. In the third Sb site, Sb(3) is bonded to one Se(3), two equivalent Se(11), and two equivalent Se(14) atoms to form SbSe5 square pyramids that share corners with two equivalent Sb(9)Se6 octahedra,  an edgeedge with one Sb(9)Se6 octahedra, edges with two equivalent Sb(4)Se6 octahedra, and edges with two equivalent Sb(3)Se5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the fourth Sb site, Sb(4) is bonded to one Se(14), one Se(6), two equivalent Se(3), and two equivalent Se(8) atoms to form SbSe6 octahedra that share corners with two equivalent Sb(7)Se6 octahedra, edges with two equivalent Sb(4)Se6 octahedra, edges with two equivalent Sb(9)Se6 octahedra, edges with three equivalent Sb(7)Se6 octahedra, and edges with two equivalent Sb(3)Se5 square pyramids. The corner-sharing octahedral tilt angles are 4°. In the fifth Sb site, Sb(5) is bonded in a 5-coordinate geometry to one Se(12), two equivalent Se(2), and two equivalent Se(9) atoms. In the sixth Sb site, Sb(6) is bonded to one Se(10), two equivalent Se(15), and two equivalent Se(9) atoms to form distorted edge-sharing SbSe5 square pyramids. In the seventh Sb site, Sb(7) is bonded to one Se(1), two equivalent Se(6), and three equivalent Se(8) atoms to form a mixture of corner and edge-sharing SbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the eighth Sb site, Sb(8) is bonded in a 6-coordinate geometry to one Se(14), one Se(5), two equivalent Se(11), and two equivalent Se(13) atoms. In the ninth Sb site, Sb(9) is bonded to one Se(13), one Se(8), two equivalent Se(1), and two equivalent Se(14) atoms to form SbSe6 octahedra that share  a cornercorner with one Sb(7)Se6 octahedra, corners with two equivalent Sb(3)Se5 square pyramids, edges with two equivalent Sb(4)Se6 octahedra, edges with two equivalent Sb(7)Se6 octahedra, edges with two equivalent Sb(9)Se6 octahedra, and  an edgeedge with one Sb(3)Se5 square pyramid. The corner-sharing octahedral tilt angles are 1°. There are fifteen inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent K(2), one Sb(7), and two equivalent Sb(9) atoms to form distorted SeK2Sb3 trigonal bipyramids that share  a cornercorner with one Se(8)Sb6 octahedra, corners with two equivalent Se(12)K2Sb3 square pyramids, corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(14)Sb6 square pyramids, edges with two equivalent Se(8)Sb6 octahedra,  an edgeedge with one Se(12)K2Sb3 square pyramid,  an edgeedge with one Se(7)K4Sb square pyramid,  an edgeedge with one Se(14)Sb6 square pyramid, and edges with two equivalent Se(1)K2Sb3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one K(2) and two equivalent Sb(5) atoms. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Sb(3) and two equivalent Sb(4) atoms. In the fourth Se site, Se(4) is bonded to three equivalent K(1) and two equivalent Sb(2) atoms to form distorted SeK3Sb2 trigonal bipyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with four equivalent Se(5)K2SbPb2 trigonal bipyramids, corners with three equivalent Se(15)KSb2Pb trigonal pyramids, edges with three equivalent Se(7)K4Sb square pyramids,  an edgeedge with one Se(5)K2SbPb2 trigonal bipyramid, and edges with four equivalent Se(4)K3Sb2 trigonal bipyramids. In the fifth Se site, Se(5) is bonded to two equivalent K(1), two equivalent Pb(1), and one Sb(8) atom to form distorted SeK2SbPb2 trigonal bipyramids that share  a cornercorner with one Se(14)Sb6 square pyramid, corners with two equivalent Se(7)K4Sb square pyramids, corners with four equivalent Se(4)K3Sb2 trigonal bipyramids,  an edgeedge with one Se(7)K4Sb square pyramid,  an edgeedge with one Se(4)K3Sb2 trigonal bipyramid, edges with two equivalent Se(5)K2SbPb2 trigonal bipyramids, and edges with two equivalent Se(15)KSb2Pb trigonal pyramids. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Sb(4) and two equivalent Sb(7) atoms. In the seventh Se site, Se(7) is bonded to two equivalent K(1), two equivalent K(2), and one Sb(2) atom to form SeK4Sb square pyramids that share corners with two equivalent Se(12)K2Sb3 square pyramids, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids, corners with two equivalent Se(5)K2SbPb2 trigonal bipyramids, corners with two equivalent Se(4)K3Sb2 trigonal bipyramids, corners with two equivalent Se(15)KSb2Pb trigonal pyramids,  an edgeedge with one Se(12)K2Sb3 square pyramid, edges with two equivalent Se(7)K4Sb square pyramids,  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid,  an edgeedge with one Se(5)K2SbPb2 trigonal bipyramid, and edges with three equivalent Se(4)K3Sb2 trigonal bipyramids. In the eighth Se site, Se(8) is bonded to one Sb(9), two equivalent Sb(4), and three equivalent Sb(7) atoms to form SeSb6 octahedra that share  a cornercorner with one Se(1)K2Sb3 trigonal bipyramid, edges with four equivalent Se(8)Sb6 octahedra, edges with two equivalent Se(14)Sb6 square pyramids, and edges with two equivalent Se(1)K2Sb3 trigonal bipyramids. In the ninth Se site, Se(9) is bonded to one Sb(1), two equivalent Sb(5), and two equivalent Sb(6) atoms to form distorted SeSb5 square pyramids that share corners with two equivalent Se(15)KSb2Pb trigonal pyramids, edges with two equivalent Se(12)K2Sb3 square pyramids, edges with two equivalent Se(9)Sb5 square pyramids, and  an edgeedge with one Se(15)KSb2Pb trigonal pyramid. In the tenth Se site, Se(10) is bonded in a 3-coordinate geometry to one Sb(6) and two equivalent Sb(1) atoms. In the eleventh Se site, Se(11) is bonded in a rectangular see-saw-like geometry to two equivalent Sb(3) and two equivalent Sb(8) atoms. In the twelfth Se site, Se(12) is bonded to two equivalent K(2), one Sb(5), and two equivalent Sb(1) atoms to form SeK2Sb3 square pyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids,  an edgeedge with one Se(7)K4Sb square pyramid, edges with two equivalent Se(12)K2Sb3 square pyramids, edges with two equivalent Se(9)Sb5 square pyramids, and  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid. In the thirteenth Se site, Se(13) is bonded in a 3-coordinate geometry to one K(2), one Sb(9), and two equivalent Sb(8) atoms. In the fourteenth Se site, Se(14) is bonded to one Sb(4), one Sb(8), two equivalent Sb(3), and two equivalent Sb(9) atoms to form distorted SeSb6 square pyramids that share  a cornercorner with one Se(5)K2SbPb2 trigonal bipyramid, corners with two equivalent Se(1)K2Sb3 trigonal bipyramids, edges with two equivalent Se(8)Sb6 octahedra, edges with two equivalent Se(14)Sb6 square pyramids, and  an edgeedge with one Se(1)K2Sb3 trigonal bipyramid. In the fifteenth Se site, Se(15) is bonded to one K(1), one Pb(1), and two equivalent Sb(6) atoms to form SeKSb2Pb trigonal pyramids that share corners with two equivalent Se(7)K4Sb square pyramids, corners with two equivalent Se(9)Sb5 square pyramids, corners with three equivalent Se(4)K3Sb2 trigonal bipyramids, corners with two equivalent Se(15)KSb2Pb trigonal pyramids,  an edgeedge with one Se(9)Sb5 square pyramid, and edges with two equivalent Se(5)K2SbPb2 trigonal bipyramids. is represented by the CIF file [CIF]
data_K2Sb9PbSe15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.225
_cell_length_b   17.321
_cell_length_c   22.299
_cell_angle_alpha   80.887
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1611.369
_cell_formula_units_Z   2
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
  K  K0  1  0.250  0.496  0.627  1.0
  K  K1  1  0.750  0.504  0.373  1.0
  K  K2  1  0.250  0.216  0.694  1.0
  K  K3  1  0.750  0.784  0.306  1.0
  Sb  Sb4  1  0.250  0.945  0.706  1.0
  Sb  Sb5  1  0.750  0.055  0.294  1.0
  Sb  Sb6  1  0.250  0.671  0.468  1.0
  Sb  Sb7  1  0.750  0.329  0.532  1.0
  Sb  Sb8  1  0.250  0.390  0.034  1.0
  Sb  Sb9  1  0.750  0.610  0.966  1.0
  Sb  Sb10  1  0.250  0.816  0.947  1.0
  Sb  Sb11  1  0.750  0.184  0.053  1.0
  Sb  Sb12  1  0.250  0.927  0.439  1.0
  Sb  Sb13  1  0.750  0.073  0.561  1.0
  Sb  Sb14  1  0.250  0.196  0.389  1.0
  Sb  Sb15  1  0.750  0.804  0.611  1.0
  Sb  Sb16  1  0.250  0.965  0.091  1.0
  Sb  Sb17  1  0.750  0.035  0.909  1.0
  Sb  Sb18  1  0.250  0.544  0.161  1.0
  Sb  Sb19  1  0.750  0.456  0.839  1.0
  Sb  Sb20  1  0.250  0.243  0.891  1.0
  Sb  Sb21  1  0.750  0.757  0.109  1.0
  Pb  Pb22  1  0.250  0.674  0.768  1.0
  Pb  Pb23  1  0.750  0.326  0.232  1.0
  Se  Se24  1  0.250  0.825  0.170  1.0
  Se  Se25  1  0.750  0.175  0.830  1.0
  Se  Se26  1  0.250  0.176  0.543  1.0
  Se  Se27  1  0.750  0.824  0.457  1.0
  Se  Se28  1  0.250  0.256  0.114  1.0
  Se  Se29  1  0.750  0.744  0.886  1.0
  Se  Se30  1  0.250  0.424  0.494  1.0
  Se  Se31  1  0.750  0.576  0.506  1.0
  Se  Se32  1  0.250  0.436  0.258  1.0
  Se  Se33  1  0.750  0.564  0.742  1.0
  Se  Se34  1  0.250  0.970  0.854  1.0
  Se  Se35  1  0.750  0.030  0.146  1.0
  Se  Se36  1  0.250  0.652  0.358  1.0
  Se  Se37  1  0.750  0.348  0.642  1.0
  Se  Se38  1  0.250  0.110  0.988  1.0
  Se  Se39  1  0.750  0.890  0.012  1.0
  Se  Se40  1  0.250  0.935  0.589  1.0
  Se  Se41  1  0.750  0.065  0.411  1.0
  Se  Se42  1  0.250  0.174  0.272  1.0
  Se  Se43  1  0.750  0.826  0.728  1.0
  Se  Se44  1  0.250  0.542  0.912  1.0
  Se  Se45  1  0.750  0.458  0.088  1.0
  Se  Se46  1  0.250  0.937  0.318  1.0
  Se  Se47  1  0.750  0.063  0.682  1.0
  Se  Se48  1  0.250  0.378  0.795  1.0
  Se  Se49  1  0.750  0.622  0.205  1.0
  Se  Se50  1  0.250  0.685  0.040  1.0
  Se  Se51  1  0.750  0.315  0.960  1.0
  Se  Se52  1  0.250  0.698  0.634  1.0
  Se  Se53  1  0.750  0.302  0.366  1.0
[/CIF]
.