The structure described by Cs3Sm7Se12 crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Se(12), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(5) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Se(11), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(6) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one Se(2), one Se(6), two equivalent Se(7), and two equivalent Se(8) atoms. There are seven inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Se(1), one Se(9), two equivalent Se(11), and two equivalent Se(7) atoms to form edge-sharing SmSe6 octahedra. In the second Sm site, Sm(2) is bonded to one Se(10), one Se(2), two equivalent Se(12), and two equivalent Se(8) atoms to form edge-sharing SmSe6 octahedra. In the third Sm site, Sm(3) is bonded to one Se(11), one Se(12), two equivalent Se(1), and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the fourth Sm site, Sm(4) is bonded to one Se(3), one Se(7), two equivalent Se(6), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth Sm site, Sm(5) is bonded to one Se(4), one Se(8), two equivalent Se(10), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth Sm site, Sm(6) is bonded to one Se(11), one Se(5), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the seventh Sm site, Sm(7) is bonded to one Se(12), one Se(6), two equivalent Se(10), and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Sm(1), and two equivalent Sm(3) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Sm(2), and two equivalent Sm(3) atoms. In the third Se site, Se(3) is bonded to two equivalent Cs(1), one Sm(4), and two equivalent Sm(7) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share  a cornercorner with one Se(7)Cs2Sm3 square pyramid, corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(10)Sm5 square pyramid,  an edgeedge with one Se(5)Cs2Sm3 trigonal bipyramid, edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(12)CsSm4 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Cs(2), one Sm(5), and two equivalent Sm(6) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  an edgeedge with one Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(9)Sm5 square pyramid, edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(11)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth Se site, Se(5) is bonded to two equivalent Cs(1), one Sm(6), and two equivalent Sm(5) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  a cornercorner with one Se(11)CsSm4 trigonal bipyramid, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(12)CsSm4 trigonal bipyramids,  an edgeedge with one Se(10)Sm5 square pyramid,  an edgeedge with one Se(3)Cs2Sm3 trigonal bipyramid, edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(5)Cs2Sm3 trigonal bipyramids. In the sixth Se site, Se(6) is bonded to one Cs(3), two equivalent Cs(2), one Sm(7), and two equivalent Sm(4) atoms to form distorted SeCs3Sm3 octahedra that share corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  a cornercorner with one Se(12)CsSm4 trigonal bipyramid, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(11)CsSm4 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(9)Sm5 square pyramid, edges with two equivalent Se(7)Cs2Sm3 square pyramids,  an edgeedge with one Se(4)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids. In the seventh Se site, Se(7) is bonded to two equivalent Cs(3), one Sm(4), and two equivalent Sm(1) atoms to form distorted SeCs2Sm3 square pyramids that share  a cornercorner with one Se(3)Cs2Sm3 trigonal bipyramid, corners with two equivalent Se(11)CsSm4 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra, edges with two equivalent Se(7)Cs2Sm3 square pyramids, edges with two equivalent Se(9)Sm5 square pyramids, and  an edgeedge with one Se(11)CsSm4 trigonal bipyramid. In the eighth Se site, Se(8) is bonded in a 5-coordinate geometry to two equivalent Cs(3), one Sm(5), and two equivalent Sm(2) atoms. In the ninth Se site, Se(9) is bonded to one Sm(1), two equivalent Sm(4), and two equivalent Sm(6) atoms to form SeSm5 square pyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids,  an edgeedge with one Se(6)Cs3Sm3 octahedra, edges with two equivalent Se(7)Cs2Sm3 square pyramids, edges with two equivalent Se(9)Sm5 square pyramids,  an edgeedge with one Se(4)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(11)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. In the tenth Se site, Se(10) is bonded to one Sm(2), two equivalent Sm(5), and two equivalent Sm(7) atoms to form SeSm5 square pyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(10)Sm5 square pyramids,  an edgeedge with one Se(3)Cs2Sm3 trigonal bipyramid,  an edgeedge with one Se(5)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(12)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 78°. In the eleventh Se site, Se(11) is bonded to one Cs(2), one Sm(3), one Sm(6), and two equivalent Sm(1) atoms to form distorted SeCsSm4 trigonal bipyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(7)Cs2Sm3 square pyramids,  a cornercorner with one Se(5)Cs2Sm3 trigonal bipyramid,  a cornercorner with one Se(12)CsSm4 trigonal bipyramid, corners with two equivalent Se(11)CsSm4 trigonal bipyramids,  an edgeedge with one Se(7)Cs2Sm3 square pyramid, edges with two equivalent Se(9)Sm5 square pyramids, and edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. In the twelfth Se site, Se(12) is bonded to one Cs(1), one Sm(3), one Sm(7), and two equivalent Sm(2) atoms to form distorted SeCsSm4 trigonal bipyramids that share  a cornercorner with one Se(6)Cs3Sm3 octahedra,  a cornercorner with one Se(11)CsSm4 trigonal bipyramid, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(12)CsSm4 trigonal bipyramids, edges with two equivalent Se(10)Sm5 square pyramids, and edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF card [CIF]
data_Cs3Sm7Se12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.261
_cell_length_b   13.058
_cell_length_c   26.763
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1489.264
_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
  Cs  Cs0  1  0.500  0.533  0.129  1.0
  Cs  Cs1  1  0.500  0.960  0.863  1.0
  Cs  Cs2  1  0.000  0.040  0.363  1.0
  Cs  Cs3  1  0.000  0.467  0.629  1.0
  Cs  Cs4  1  0.500  0.805  0.473  1.0
  Cs  Cs5  1  0.000  0.195  0.973  1.0
  Sm  Sm6  1  0.500  0.466  0.418  1.0
  Sm  Sm7  1  0.500  0.031  0.585  1.0
  Sm  Sm8  1  0.000  0.969  0.085  1.0
  Sm  Sm9  1  0.000  0.534  0.918  1.0
  Sm  Sm10  1  0.000  0.246  0.499  1.0
  Sm  Sm11  1  0.500  0.754  0.999  1.0
  Sm  Sm12  1  0.500  0.330  0.817  1.0
  Sm  Sm13  1  0.500  0.174  0.182  1.0
  Sm  Sm14  1  0.000  0.826  0.682  1.0
  Sm  Sm15  1  0.000  0.670  0.317  1.0
  Sm  Sm16  1  0.500  0.657  0.788  1.0
  Sm  Sm17  1  0.500  0.842  0.212  1.0
  Sm  Sm18  1  0.000  0.158  0.712  1.0
  Sm  Sm19  1  0.000  0.343  0.288  1.0
  Se  Se20  1  0.500  0.395  0.518  1.0
  Se  Se21  1  0.500  0.092  0.481  1.0
  Se  Se22  1  0.000  0.908  0.981  1.0
  Se  Se23  1  0.000  0.605  0.018  1.0
  Se  Se24  1  0.500  0.304  0.711  1.0
  Se  Se25  1  0.500  0.197  0.289  1.0
  Se  Se26  1  0.000  0.803  0.789  1.0
  Se  Se27  1  0.000  0.696  0.211  1.0
  Se  Se28  1  0.500  0.678  0.680  1.0
  Se  Se29  1  0.500  0.820  0.322  1.0
  Se  Se30  1  0.000  0.180  0.822  1.0
  Se  Se31  1  0.000  0.322  0.180  1.0
  Se  Se32  1  0.500  0.383  0.922  1.0
  Se  Se33  1  0.500  0.121  0.077  1.0
  Se  Se34  1  0.000  0.879  0.577  1.0
  Se  Se35  1  0.000  0.617  0.422  1.0
  Se  Se36  1  0.500  0.505  0.304  1.0
  Se  Se37  1  0.500  0.995  0.697  1.0
  Se  Se38  1  0.000  0.005  0.197  1.0
  Se  Se39  1  0.000  0.495  0.804  1.0
  Se  Se40  1  0.500  0.683  0.897  1.0
  Se  Se41  1  0.500  0.819  0.104  1.0
  Se  Se42  1  0.000  0.181  0.604  1.0
  Se  Se43  1  0.000  0.317  0.397  1.0
[/CIF]
.
The structure described by Cs3Sm7Se12 crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one Se(12), two equivalent Se(1), two equivalent Se(3), and two equivalent Se(5) atoms. In the second Cs site, Cs(2) is bonded in a 7-coordinate geometry to one Se(11), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(6) atoms. In the third Cs site, Cs(3) is bonded in a 6-coordinate geometry to one Se(2), one Se(6), two equivalent Se(7), and two equivalent Se(8) atoms. There are seven inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to one Se(1), one Se(9), two equivalent Se(11), and two equivalent Se(7) atoms to form edge-sharing SmSe6 octahedra. In the second Sm site, Sm(2) is bonded to one Se(10), one Se(2), two equivalent Se(12), and two equivalent Se(8) atoms to form edge-sharing SmSe6 octahedra. In the third Sm site, Sm(3) is bonded to one Se(11), one Se(12), two equivalent Se(1), and two equivalent Se(2) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. In the fourth Sm site, Sm(4) is bonded to one Se(3), one Se(7), two equivalent Se(6), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fifth Sm site, Sm(5) is bonded to one Se(4), one Se(8), two equivalent Se(10), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth Sm site, Sm(6) is bonded to one Se(11), one Se(5), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the seventh Sm site, Sm(7) is bonded to one Se(12), one Se(6), two equivalent Se(10), and two equivalent Se(3) atoms to form a mixture of corner and edge-sharing SmSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. There are twelve inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Cs(1), one Sm(1), and two equivalent Sm(3) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Cs(3), two equivalent Cs(2), one Sm(2), and two equivalent Sm(3) atoms. In the third Se site, Se(3) is bonded to two equivalent Cs(1), one Sm(4), and two equivalent Sm(7) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share  a cornercorner with one Se(7)Cs2Sm3 square pyramid, corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(10)Sm5 square pyramid,  an edgeedge with one Se(5)Cs2Sm3 trigonal bipyramid, edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(12)CsSm4 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Cs(2), one Sm(5), and two equivalent Sm(6) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  an edgeedge with one Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(9)Sm5 square pyramid, edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(11)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth Se site, Se(5) is bonded to two equivalent Cs(1), one Sm(6), and two equivalent Sm(5) atoms to form distorted SeCs2Sm3 trigonal bipyramids that share corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  a cornercorner with one Se(11)CsSm4 trigonal bipyramid, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(12)CsSm4 trigonal bipyramids,  an edgeedge with one Se(10)Sm5 square pyramid,  an edgeedge with one Se(3)Cs2Sm3 trigonal bipyramid, edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, and edges with two equivalent Se(5)Cs2Sm3 trigonal bipyramids. In the sixth Se site, Se(6) is bonded to one Cs(3), two equivalent Cs(2), one Sm(7), and two equivalent Sm(4) atoms to form distorted SeCs3Sm3 octahedra that share corners with two equivalent Se(10)Sm5 square pyramids, corners with two equivalent Se(9)Sm5 square pyramids,  a cornercorner with one Se(12)CsSm4 trigonal bipyramid, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(11)CsSm4 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra,  an edgeedge with one Se(9)Sm5 square pyramid, edges with two equivalent Se(7)Cs2Sm3 square pyramids,  an edgeedge with one Se(4)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids. In the seventh Se site, Se(7) is bonded to two equivalent Cs(3), one Sm(4), and two equivalent Sm(1) atoms to form distorted SeCs2Sm3 square pyramids that share  a cornercorner with one Se(3)Cs2Sm3 trigonal bipyramid, corners with two equivalent Se(11)CsSm4 trigonal bipyramids, edges with two equivalent Se(6)Cs3Sm3 octahedra, edges with two equivalent Se(7)Cs2Sm3 square pyramids, edges with two equivalent Se(9)Sm5 square pyramids, and  an edgeedge with one Se(11)CsSm4 trigonal bipyramid. In the eighth Se site, Se(8) is bonded in a 5-coordinate geometry to two equivalent Cs(3), one Sm(5), and two equivalent Sm(2) atoms. In the ninth Se site, Se(9) is bonded to one Sm(1), two equivalent Sm(4), and two equivalent Sm(6) atoms to form SeSm5 square pyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids,  an edgeedge with one Se(6)Cs3Sm3 octahedra, edges with two equivalent Se(7)Cs2Sm3 square pyramids, edges with two equivalent Se(9)Sm5 square pyramids,  an edgeedge with one Se(4)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(11)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 5°. In the tenth Se site, Se(10) is bonded to one Sm(2), two equivalent Sm(5), and two equivalent Sm(7) atoms to form SeSm5 square pyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(3)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(4)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, edges with two equivalent Se(10)Sm5 square pyramids,  an edgeedge with one Se(3)Cs2Sm3 trigonal bipyramid,  an edgeedge with one Se(5)Cs2Sm3 trigonal bipyramid, and edges with two equivalent Se(12)CsSm4 trigonal bipyramids. The corner-sharing octahedral tilt angles are 78°. In the eleventh Se site, Se(11) is bonded to one Cs(2), one Sm(3), one Sm(6), and two equivalent Sm(1) atoms to form distorted SeCsSm4 trigonal bipyramids that share corners with two equivalent Se(6)Cs3Sm3 octahedra, corners with two equivalent Se(7)Cs2Sm3 square pyramids,  a cornercorner with one Se(5)Cs2Sm3 trigonal bipyramid,  a cornercorner with one Se(12)CsSm4 trigonal bipyramid, corners with two equivalent Se(11)CsSm4 trigonal bipyramids,  an edgeedge with one Se(7)Cs2Sm3 square pyramid, edges with two equivalent Se(9)Sm5 square pyramids, and edges with two equivalent Se(4)Cs2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 35°. In the twelfth Se site, Se(12) is bonded to one Cs(1), one Sm(3), one Sm(7), and two equivalent Sm(2) atoms to form distorted SeCsSm4 trigonal bipyramids that share  a cornercorner with one Se(6)Cs3Sm3 octahedra,  a cornercorner with one Se(11)CsSm4 trigonal bipyramid, corners with two equivalent Se(5)Cs2Sm3 trigonal bipyramids, corners with two equivalent Se(12)CsSm4 trigonal bipyramids, edges with two equivalent Se(10)Sm5 square pyramids, and edges with two equivalent Se(3)Cs2Sm3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF card [CIF]
data_Cs3Sm7Se12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.261
_cell_length_b   13.058
_cell_length_c   26.763
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1489.264
_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
  Cs  Cs0  1  0.500  0.533  0.129  1.0
  Cs  Cs1  1  0.500  0.960  0.863  1.0
  Cs  Cs2  1  0.000  0.040  0.363  1.0
  Cs  Cs3  1  0.000  0.467  0.629  1.0
  Cs  Cs4  1  0.500  0.805  0.473  1.0
  Cs  Cs5  1  0.000  0.195  0.973  1.0
  Sm  Sm6  1  0.500  0.466  0.418  1.0
  Sm  Sm7  1  0.500  0.031  0.585  1.0
  Sm  Sm8  1  0.000  0.969  0.085  1.0
  Sm  Sm9  1  0.000  0.534  0.918  1.0
  Sm  Sm10  1  0.000  0.246  0.499  1.0
  Sm  Sm11  1  0.500  0.754  0.999  1.0
  Sm  Sm12  1  0.500  0.330  0.817  1.0
  Sm  Sm13  1  0.500  0.174  0.182  1.0
  Sm  Sm14  1  0.000  0.826  0.682  1.0
  Sm  Sm15  1  0.000  0.670  0.317  1.0
  Sm  Sm16  1  0.500  0.657  0.788  1.0
  Sm  Sm17  1  0.500  0.842  0.212  1.0
  Sm  Sm18  1  0.000  0.158  0.712  1.0
  Sm  Sm19  1  0.000  0.343  0.288  1.0
  Se  Se20  1  0.500  0.395  0.518  1.0
  Se  Se21  1  0.500  0.092  0.481  1.0
  Se  Se22  1  0.000  0.908  0.981  1.0
  Se  Se23  1  0.000  0.605  0.018  1.0
  Se  Se24  1  0.500  0.304  0.711  1.0
  Se  Se25  1  0.500  0.197  0.289  1.0
  Se  Se26  1  0.000  0.803  0.789  1.0
  Se  Se27  1  0.000  0.696  0.211  1.0
  Se  Se28  1  0.500  0.678  0.680  1.0
  Se  Se29  1  0.500  0.820  0.322  1.0
  Se  Se30  1  0.000  0.180  0.822  1.0
  Se  Se31  1  0.000  0.322  0.180  1.0
  Se  Se32  1  0.500  0.383  0.922  1.0
  Se  Se33  1  0.500  0.121  0.077  1.0
  Se  Se34  1  0.000  0.879  0.577  1.0
  Se  Se35  1  0.000  0.617  0.422  1.0
  Se  Se36  1  0.500  0.505  0.304  1.0
  Se  Se37  1  0.500  0.995  0.697  1.0
  Se  Se38  1  0.000  0.005  0.197  1.0
  Se  Se39  1  0.000  0.495  0.804  1.0
  Se  Se40  1  0.500  0.683  0.897  1.0
  Se  Se41  1  0.500  0.819  0.104  1.0
  Se  Se42  1  0.000  0.181  0.604  1.0
  Se  Se43  1  0.000  0.317  0.397  1.0
[/CIF]
.