The crystal structure described by Pr2Pb17Se20 crystallizes in the monoclinic C2/m space group. Pr(1) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(6) atoms to form PrSe6 octahedra that share  a cornercorner with one Pb(4)Se6 octahedra, corners with two equivalent Pb(6)Se6 octahedra, corners with three equivalent Pb(1)Se6 octahedra,  an edgeedge with one Pb(6)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with three equivalent Pb(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are nine inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form PbSe6 octahedra that share corners with two equivalent Pb(2)Se6 octahedra, corners with three equivalent Pr(1)Se6 octahedra,  an edgeedge with one Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, edges with three equivalent Pr(1)Se6 octahedra, and edges with four equivalent Pb(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Pb site, Pb(2) is bonded to one Se(4), one Se(6), two equivalent Se(3), and two equivalent Se(8) atoms to form PbSe6 octahedra that share  a cornercorner with one Pb(4)Se6 octahedra,  a cornercorner with one Pb(6)Se6 octahedra, corners with two equivalent Pb(1)Se6 octahedra, corners with two equivalent Pb(8)Se6 octahedra,  an edgeedge with one Pb(1)Se6 octahedra,  an edgeedge with one Pb(8)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(3)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with two equivalent Pb(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Pb site, Pb(3) is bonded to one Se(5), one Se(8), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth Pb site, Pb(4) is bonded to one Se(3), one Se(6), two equivalent Se(1), and two equivalent Se(4) atoms to form PbSe6 octahedra that share  a cornercorner with one Pr(1)Se6 octahedra,  a cornercorner with one Pb(2)Se6 octahedra, corners with two equivalent Pb(3)Se6 octahedra,  an edgeedge with one Pb(3)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with two equivalent Pb(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Pb site, Pb(5) is bonded to one Se(7), one Se(9), two equivalent Se(10), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth Pb site, Pb(6) is bonded to one Se(4), one Se(8), two equivalent Se(5), and two equivalent Se(6) atoms to form PbSe6 octahedra that share  a cornercorner with one Pb(2)Se6 octahedra,  a cornercorner with one Pb(3)Se6 octahedra, corners with two equivalent Pr(1)Se6 octahedra, corners with two equivalent Pb(5)Se6 octahedra,  an edgeedge with one Pr(1)Se6 octahedra,  an edgeedge with one Pb(5)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(3)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, edges with two equivalent Pb(6)Se6 octahedra, and edges with two equivalent Pb(8)Se6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh Pb site, Pb(7) is bonded to two equivalent Se(10) and four equivalent Se(7) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth Pb site, Pb(8) is bonded to one Se(5), one Se(9), two equivalent Se(7), and two equivalent Se(8) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the ninth Pb site, Pb(9) is bonded to one Se(7), two equivalent Se(9), and three equivalent Se(10) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pb(1), and two equivalent Pb(4) atoms. In the second Se site, Se(2) is bonded to two equivalent Pr(1) and three equivalent Pb(1) atoms to form distorted SePr2Pb3 square pyramids that share corners with two equivalent Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(3)PrPb5 octahedra,  an edgeedge with one Se(6)Pr2Pb4 octahedra, edges with three equivalent Se(3)PrPb5 octahedra, and edges with four equivalent Se(2)Pr2Pb3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third Se site, Se(3) is bonded to one Pr(1), one Pb(4), two equivalent Pb(1), and two equivalent Pb(2) atoms to form distorted SePrPb5 octahedra that share  a cornercorner with one Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(8)Pb6 octahedra, corners with two equivalent Se(2)Pr2Pb3 square pyramids,  an edgeedge with one Se(8)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(3)PrPb5 octahedra, and edges with three equivalent Se(2)Pr2Pb3 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth Se site, Se(4) is bonded to one Pb(2), one Pb(6), two equivalent Pb(3), and two equivalent Pb(4) atoms to form SePb6 octahedra that share  a cornercorner with one Se(8)Pb6 octahedra,  a cornercorner with one Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(9)Pb6 octahedra,  an edgeedge with one Se(9)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, and edges with two equivalent Se(3)PrPb5 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth Se site, Se(5) is bonded to one Pb(3), one Pb(8), two equivalent Pb(5), and two equivalent Pb(6) atoms to form SePb6 octahedra that share  a cornercorner with one Se(8)Pb6 octahedra,  a cornercorner with one Se(9)Pb6 octahedra, corners with two equivalent Se(10)Pb6 octahedra, corners with two equivalent Se(6)Pr2Pb4 octahedra,  an edgeedge with one Se(10)Pb6 octahedra,  an edgeedge with one Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(7)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, and edges with two equivalent Se(9)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth Se site, Se(6) is bonded to two equivalent Pr(1), one Pb(2), one Pb(4), and two equivalent Pb(6) atoms to form distorted SePr2Pb4 octahedra that share  a cornercorner with one Se(4)Pb6 octahedra,  a cornercorner with one Se(3)PrPb5 octahedra, corners with two equivalent Se(5)Pb6 octahedra, corners with two equivalent Se(2)Pr2Pb3 square pyramids,  an edgeedge with one Se(5)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(3)PrPb5 octahedra, and  an edgeedge with one Se(2)Pr2Pb3 square pyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh Se site, Se(7) is bonded to one Pb(5), one Pb(9), two equivalent Pb(7), and two equivalent Pb(8) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth Se site, Se(8) is bonded to one Pb(3), one Pb(6), two equivalent Pb(2), and two equivalent Pb(8) atoms to form SePb6 octahedra that share  a cornercorner with one Se(4)Pb6 octahedra,  a cornercorner with one Se(5)Pb6 octahedra, corners with two equivalent Se(7)Pb6 octahedra, corners with two equivalent Se(3)PrPb5 octahedra,  an edgeedge with one Se(7)Pb6 octahedra,  an edgeedge with one Se(3)PrPb5 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(9)Pb6 octahedra, and edges with two equivalent Se(6)Pr2Pb4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the ninth Se site, Se(9) is bonded to one Pb(5), one Pb(8), two equivalent Pb(3), and two equivalent Pb(9) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth Se site, Se(10) is bonded to one Pb(7), two equivalent Pb(5), and three equivalent Pb(9) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Pr2Pb17Se20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.807
_cell_length_b   9.807
_cell_length_c   29.179
_cell_angle_alpha   78.381
_cell_angle_beta   78.381
_cell_angle_gamma   25.975
_symmetry_Int_Tables_number   1
_cell_volume   1202.684
_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  0.403  0.403  0.903  1.0
  Pr  Pr1  1  0.597  0.597  0.097  1.0
  Pb  Pb2  1  0.698  0.698  0.949  1.0
  Pb  Pb3  1  0.203  0.203  0.201  1.0
  Pb  Pb4  1  0.302  0.302  0.051  1.0
  Pb  Pb5  1  0.801  0.801  0.298  1.0
  Pb  Pb6  1  0.905  0.905  0.145  1.0
  Pb  Pb7  1  0.398  0.398  0.402  1.0
  Pb  Pb8  1  0.497  0.497  0.252  1.0
  Pb  Pb9  1  0.000  0.000  0.500  1.0
  Pb  Pb10  1  0.101  0.101  0.351  1.0
  Pb  Pb11  1  0.701  0.701  0.449  1.0
  Pb  Pb12  1  0.602  0.602  0.598  1.0
  Pb  Pb13  1  0.199  0.199  0.702  1.0
  Pb  Pb14  1  0.299  0.299  0.551  1.0
  Pb  Pb15  1  0.899  0.899  0.649  1.0
  Pb  Pb16  1  0.797  0.797  0.799  1.0
  Pb  Pb17  1  0.503  0.503  0.748  1.0
  Pb  Pb18  1  0.095  0.095  0.855  1.0
  Se  Se19  1  0.549  0.549  0.921  1.0
  Se  Se20  1  0.152  0.152  0.030  1.0
  Se  Se21  1  0.745  0.745  0.123  1.0
  Se  Se22  1  0.848  0.848  0.970  1.0
  Se  Se23  1  0.451  0.451  0.079  1.0
  Se  Se24  1  0.347  0.347  0.228  1.0
  Se  Se25  1  0.952  0.952  0.323  1.0
  Se  Se26  1  0.053  0.053  0.170  1.0
  Se  Se27  1  0.550  0.550  0.425  1.0
  Se  Se28  1  0.649  0.649  0.274  1.0
  Se  Se29  1  0.248  0.248  0.377  1.0
  Se  Se30  1  0.149  0.149  0.527  1.0
  Se  Se31  1  0.851  0.851  0.473  1.0
  Se  Se32  1  0.752  0.752  0.623  1.0
  Se  Se33  1  0.450  0.450  0.575  1.0
  Se  Se34  1  0.351  0.351  0.726  1.0
  Se  Se35  1  0.048  0.048  0.677  1.0
  Se  Se36  1  0.947  0.947  0.830  1.0
  Se  Se37  1  0.653  0.653  0.772  1.0
  Se  Se38  1  0.255  0.255  0.877  1.0
[/CIF]
.
The crystal structure described by Pr2Pb17Se20 crystallizes in the monoclinic C2/m space group. Pr(1) is bonded to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(6) atoms to form PrSe6 octahedra that share  a cornercorner with one Pb(4)Se6 octahedra, corners with two equivalent Pb(6)Se6 octahedra, corners with three equivalent Pb(1)Se6 octahedra,  an edgeedge with one Pb(6)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with three equivalent Pb(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are nine inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form PbSe6 octahedra that share corners with two equivalent Pb(2)Se6 octahedra, corners with three equivalent Pr(1)Se6 octahedra,  an edgeedge with one Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, edges with three equivalent Pr(1)Se6 octahedra, and edges with four equivalent Pb(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Pb site, Pb(2) is bonded to one Se(4), one Se(6), two equivalent Se(3), and two equivalent Se(8) atoms to form PbSe6 octahedra that share  a cornercorner with one Pb(4)Se6 octahedra,  a cornercorner with one Pb(6)Se6 octahedra, corners with two equivalent Pb(1)Se6 octahedra, corners with two equivalent Pb(8)Se6 octahedra,  an edgeedge with one Pb(1)Se6 octahedra,  an edgeedge with one Pb(8)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(3)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with two equivalent Pb(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-6°. In the third Pb site, Pb(3) is bonded to one Se(5), one Se(8), two equivalent Se(4), and two equivalent Se(9) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fourth Pb site, Pb(4) is bonded to one Se(3), one Se(6), two equivalent Se(1), and two equivalent Se(4) atoms to form PbSe6 octahedra that share  a cornercorner with one Pr(1)Se6 octahedra,  a cornercorner with one Pb(2)Se6 octahedra, corners with two equivalent Pb(3)Se6 octahedra,  an edgeedge with one Pb(3)Se6 octahedra, edges with two equivalent Pr(1)Se6 octahedra, edges with two equivalent Pb(1)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, and edges with two equivalent Pb(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fifth Pb site, Pb(5) is bonded to one Se(7), one Se(9), two equivalent Se(10), and two equivalent Se(5) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth Pb site, Pb(6) is bonded to one Se(4), one Se(8), two equivalent Se(5), and two equivalent Se(6) atoms to form PbSe6 octahedra that share  a cornercorner with one Pb(2)Se6 octahedra,  a cornercorner with one Pb(3)Se6 octahedra, corners with two equivalent Pr(1)Se6 octahedra, corners with two equivalent Pb(5)Se6 octahedra,  an edgeedge with one Pr(1)Se6 octahedra,  an edgeedge with one Pb(5)Se6 octahedra, edges with two equivalent Pb(2)Se6 octahedra, edges with two equivalent Pb(3)Se6 octahedra, edges with two equivalent Pb(4)Se6 octahedra, edges with two equivalent Pb(6)Se6 octahedra, and edges with two equivalent Pb(8)Se6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh Pb site, Pb(7) is bonded to two equivalent Se(10) and four equivalent Se(7) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the eighth Pb site, Pb(8) is bonded to one Se(5), one Se(9), two equivalent Se(7), and two equivalent Se(8) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the ninth Pb site, Pb(9) is bonded to one Se(7), two equivalent Se(9), and three equivalent Se(10) atoms to form a mixture of corner and edge-sharing PbSe6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted rectangular see-saw-like geometry to one Pr(1), one Pb(1), and two equivalent Pb(4) atoms. In the second Se site, Se(2) is bonded to two equivalent Pr(1) and three equivalent Pb(1) atoms to form distorted SePr2Pb3 square pyramids that share corners with two equivalent Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(3)PrPb5 octahedra,  an edgeedge with one Se(6)Pr2Pb4 octahedra, edges with three equivalent Se(3)PrPb5 octahedra, and edges with four equivalent Se(2)Pr2Pb3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third Se site, Se(3) is bonded to one Pr(1), one Pb(4), two equivalent Pb(1), and two equivalent Pb(2) atoms to form distorted SePrPb5 octahedra that share  a cornercorner with one Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(8)Pb6 octahedra, corners with two equivalent Se(2)Pr2Pb3 square pyramids,  an edgeedge with one Se(8)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(3)PrPb5 octahedra, and edges with three equivalent Se(2)Pr2Pb3 square pyramids. The corner-sharing octahedral tilt angles range from 3-5°. In the fourth Se site, Se(4) is bonded to one Pb(2), one Pb(6), two equivalent Pb(3), and two equivalent Pb(4) atoms to form SePb6 octahedra that share  a cornercorner with one Se(8)Pb6 octahedra,  a cornercorner with one Se(6)Pr2Pb4 octahedra, corners with two equivalent Se(9)Pb6 octahedra,  an edgeedge with one Se(9)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, and edges with two equivalent Se(3)PrPb5 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the fifth Se site, Se(5) is bonded to one Pb(3), one Pb(8), two equivalent Pb(5), and two equivalent Pb(6) atoms to form SePb6 octahedra that share  a cornercorner with one Se(8)Pb6 octahedra,  a cornercorner with one Se(9)Pb6 octahedra, corners with two equivalent Se(10)Pb6 octahedra, corners with two equivalent Se(6)Pr2Pb4 octahedra,  an edgeedge with one Se(10)Pb6 octahedra,  an edgeedge with one Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(7)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, and edges with two equivalent Se(9)Pb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth Se site, Se(6) is bonded to two equivalent Pr(1), one Pb(2), one Pb(4), and two equivalent Pb(6) atoms to form distorted SePr2Pb4 octahedra that share  a cornercorner with one Se(4)Pb6 octahedra,  a cornercorner with one Se(3)PrPb5 octahedra, corners with two equivalent Se(5)Pb6 octahedra, corners with two equivalent Se(2)Pr2Pb3 square pyramids,  an edgeedge with one Se(5)Pb6 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(6)Pr2Pb4 octahedra, edges with two equivalent Se(3)PrPb5 octahedra, and  an edgeedge with one Se(2)Pr2Pb3 square pyramid. The corner-sharing octahedral tilt angles range from 1-4°. In the seventh Se site, Se(7) is bonded to one Pb(5), one Pb(9), two equivalent Pb(7), and two equivalent Pb(8) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth Se site, Se(8) is bonded to one Pb(3), one Pb(6), two equivalent Pb(2), and two equivalent Pb(8) atoms to form SePb6 octahedra that share  a cornercorner with one Se(4)Pb6 octahedra,  a cornercorner with one Se(5)Pb6 octahedra, corners with two equivalent Se(7)Pb6 octahedra, corners with two equivalent Se(3)PrPb5 octahedra,  an edgeedge with one Se(7)Pb6 octahedra,  an edgeedge with one Se(3)PrPb5 octahedra, edges with two equivalent Se(4)Pb6 octahedra, edges with two equivalent Se(5)Pb6 octahedra, edges with two equivalent Se(8)Pb6 octahedra, edges with two equivalent Se(9)Pb6 octahedra, and edges with two equivalent Se(6)Pr2Pb4 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the ninth Se site, Se(9) is bonded to one Pb(5), one Pb(8), two equivalent Pb(3), and two equivalent Pb(9) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth Se site, Se(10) is bonded to one Pb(7), two equivalent Pb(5), and three equivalent Pb(9) atoms to form a mixture of corner and edge-sharing SePb6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Pr2Pb17Se20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.807
_cell_length_b   9.807
_cell_length_c   29.179
_cell_angle_alpha   78.381
_cell_angle_beta   78.381
_cell_angle_gamma   25.975
_symmetry_Int_Tables_number   1
_cell_volume   1202.684
_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  0.403  0.403  0.903  1.0
  Pr  Pr1  1  0.597  0.597  0.097  1.0
  Pb  Pb2  1  0.698  0.698  0.949  1.0
  Pb  Pb3  1  0.203  0.203  0.201  1.0
  Pb  Pb4  1  0.302  0.302  0.051  1.0
  Pb  Pb5  1  0.801  0.801  0.298  1.0
  Pb  Pb6  1  0.905  0.905  0.145  1.0
  Pb  Pb7  1  0.398  0.398  0.402  1.0
  Pb  Pb8  1  0.497  0.497  0.252  1.0
  Pb  Pb9  1  0.000  0.000  0.500  1.0
  Pb  Pb10  1  0.101  0.101  0.351  1.0
  Pb  Pb11  1  0.701  0.701  0.449  1.0
  Pb  Pb12  1  0.602  0.602  0.598  1.0
  Pb  Pb13  1  0.199  0.199  0.702  1.0
  Pb  Pb14  1  0.299  0.299  0.551  1.0
  Pb  Pb15  1  0.899  0.899  0.649  1.0
  Pb  Pb16  1  0.797  0.797  0.799  1.0
  Pb  Pb17  1  0.503  0.503  0.748  1.0
  Pb  Pb18  1  0.095  0.095  0.855  1.0
  Se  Se19  1  0.549  0.549  0.921  1.0
  Se  Se20  1  0.152  0.152  0.030  1.0
  Se  Se21  1  0.745  0.745  0.123  1.0
  Se  Se22  1  0.848  0.848  0.970  1.0
  Se  Se23  1  0.451  0.451  0.079  1.0
  Se  Se24  1  0.347  0.347  0.228  1.0
  Se  Se25  1  0.952  0.952  0.323  1.0
  Se  Se26  1  0.053  0.053  0.170  1.0
  Se  Se27  1  0.550  0.550  0.425  1.0
  Se  Se28  1  0.649  0.649  0.274  1.0
  Se  Se29  1  0.248  0.248  0.377  1.0
  Se  Se30  1  0.149  0.149  0.527  1.0
  Se  Se31  1  0.851  0.851  0.473  1.0
  Se  Se32  1  0.752  0.752  0.623  1.0
  Se  Se33  1  0.450  0.450  0.575  1.0
  Se  Se34  1  0.351  0.351  0.726  1.0
  Se  Se35  1  0.048  0.048  0.677  1.0
  Se  Se36  1  0.947  0.947  0.830  1.0
  Se  Se37  1  0.653  0.653  0.772  1.0
  Se  Se38  1  0.255  0.255  0.877  1.0
[/CIF]
.