The compound described by Pr3InSe6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Se(1), one Se(3), one Se(6), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted PrSe7 pentagonal bipyramids that share  a cornercorner with one In(1)Se6 octahedra, edges with two equivalent In(2)Se6 octahedra, and edges with two equivalent Pr(1)Se7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), two equivalent Se(2), two equivalent Se(5), and two equivalent Se(6) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(5), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Se(3) and four equivalent Se(5) atoms to form InSe6 octahedra that share corners with two equivalent Pr(1)Se7 pentagonal bipyramids and edges with two equivalent In(1)Se6 octahedra. In the second In site, In(2) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form InSe6 octahedra that share edges with two equivalent In(2)Se6 octahedra and edges with four equivalent Pr(1)Se7 pentagonal bipyramids. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded to one Pr(3), two equivalent Pr(2), and two equivalent In(1) atoms to form SePr3In2 trigonal bipyramids that share corners with two equivalent Se(2)Pr4In square pyramids, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with three equivalent Se(1)Pr3In2 trigonal bipyramids, corners with four equivalent Se(6)Pr5 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid,  an edgeedge with one Se(6)Pr5 trigonal bipyramid, edges with two equivalent Se(4)Pr5 trigonal bipyramids, edges with three equivalent Se(5)Pr3In2 trigonal bipyramids, and edges with two equivalent Se(3)Pr3In trigonal pyramids. In the second Se site, Se(6) is bonded to one Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form distorted SePr5 trigonal bipyramids that share corners with four equivalent Se(2)Pr4In square pyramids,  a cornercorner with one Se(1)Pr3In2 trigonal bipyramid, corners with two equivalent Se(4)Pr5 trigonal bipyramids, corners with four equivalent Se(5)Pr3In2 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid,  an edgeedge with one Se(5)Pr3In2 trigonal bipyramid, edges with two equivalent Se(1)Pr3In2 trigonal bipyramids, edges with two equivalent Se(6)Pr5 trigonal bipyramids, edges with three equivalent Se(4)Pr5 trigonal bipyramids, and  a faceface with one Se(3)Pr3In trigonal pyramid. In the third Se site, Se(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and two equivalent In(2) atoms to form distorted SePr3In2 trigonal bipyramids that share  a cornercorner with one Se(4)Pr5 trigonal bipyramid,  a cornercorner with one Se(6)Pr5 trigonal bipyramid, corners with three equivalent Se(5)Pr3In2 trigonal bipyramids, corners with four equivalent Se(1)Pr3In2 trigonal bipyramids, corners with three equivalent Se(3)Pr3In trigonal pyramids, edges with four equivalent Se(2)Pr4In square pyramids,  an edgeedge with one Se(1)Pr3In2 trigonal bipyramid, edges with two equivalent Se(4)Pr5 trigonal bipyramids, and edges with two equivalent Se(6)Pr5 trigonal bipyramids. In the fourth Se site, Se(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one In(2) atom to form SePr4In square pyramids that share  a cornercorner with one Se(2)Pr4In square pyramid, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with four equivalent Se(4)Pr5 trigonal bipyramids, corners with four equivalent Se(6)Pr5 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids, edges with two equivalent Se(2)Pr4In square pyramids,  an edgeedge with one Se(5)Pr3In2 trigonal bipyramid,  an edgeedge with one Se(4)Pr5 trigonal bipyramid,  an edgeedge with one Se(6)Pr5 trigonal bipyramid, and edges with four equivalent Se(1)Pr3In2 trigonal bipyramids. In the fifth Se site, Se(3) is bonded to one Pr(1), two equivalent Pr(3), and one In(1) atom to form distorted SePr3In trigonal pyramids that share corners with two equivalent Se(2)Pr4In square pyramids, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with two equivalent Se(6)Pr5 trigonal bipyramids, corners with three equivalent Se(1)Pr3In2 trigonal bipyramids, corners with four equivalent Se(4)Pr5 trigonal bipyramids, corners with three equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(4)Pr5 trigonal bipyramid, edges with two equivalent Se(5)Pr3In2 trigonal bipyramids, and  a faceface with one Se(6)Pr5 trigonal bipyramid. In the sixth Se site, Se(4) is bonded to one Pr(2), two equivalent Pr(1), and two equivalent Pr(3) atoms to form distorted SePr5 trigonal bipyramids that share corners with four equivalent Se(2)Pr4In square pyramids,  a cornercorner with one Se(1)Pr3In2 trigonal bipyramid, corners with two equivalent Se(6)Pr5 trigonal bipyramids, corners with four equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid, edges with two equivalent Se(1)Pr3In2 trigonal bipyramids, edges with two equivalent Se(5)Pr3In2 trigonal bipyramids, edges with two equivalent Se(4)Pr5 trigonal bipyramids, edges with three equivalent Se(6)Pr5 trigonal bipyramids, and  an edgeedge with one Se(3)Pr3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3InSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.157
_cell_length_b   14.505
_cell_length_c   17.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1065.747
_cell_formula_units_Z   4
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  0.500  0.687  0.355  1.0
  Pr  Pr1  1  0.500  0.313  0.645  1.0
  Pr  Pr2  1  0.000  0.187  0.145  1.0
  Pr  Pr3  1  0.000  0.813  0.855  1.0
  Pr  Pr4  1  0.000  0.748  0.105  1.0
  Pr  Pr5  1  0.000  0.252  0.895  1.0
  Pr  Pr6  1  0.500  0.248  0.395  1.0
  Pr  Pr7  1  0.500  0.752  0.605  1.0
  Pr  Pr8  1  0.000  0.959  0.277  1.0
  Pr  Pr9  1  0.000  0.041  0.723  1.0
  Pr  Pr10  1  0.500  0.459  0.223  1.0
  Pr  Pr11  1  0.500  0.541  0.777  1.0
  In  In12  1  0.000  0.500  0.000  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  In  In14  1  0.000  0.500  0.500  1.0
  In  In15  1  0.500  0.000  0.000  1.0
  Se  Se16  1  0.000  0.978  0.102  1.0
  Se  Se17  1  0.000  0.022  0.898  1.0
  Se  Se18  1  0.500  0.478  0.398  1.0
  Se  Se19  1  0.500  0.522  0.602  1.0
  Se  Se20  1  0.000  0.689  0.481  1.0
  Se  Se21  1  0.000  0.311  0.519  1.0
  Se  Se22  1  0.500  0.189  0.019  1.0
  Se  Se23  1  0.500  0.811  0.981  1.0
  Se  Se24  1  0.500  0.888  0.387  1.0
  Se  Se25  1  0.500  0.112  0.613  1.0
  Se  Se26  1  0.000  0.388  0.113  1.0
  Se  Se27  1  0.000  0.612  0.887  1.0
  Se  Se28  1  0.000  0.611  0.252  1.0
  Se  Se29  1  0.000  0.389  0.748  1.0
  Se  Se30  1  0.500  0.111  0.248  1.0
  Se  Se31  1  0.500  0.889  0.752  1.0
  Se  Se32  1  0.000  0.907  0.583  1.0
  Se  Se33  1  0.000  0.093  0.417  1.0
  Se  Se34  1  0.500  0.407  0.917  1.0
  Se  Se35  1  0.500  0.593  0.083  1.0
  Se  Se36  1  0.000  0.682  0.715  1.0
  Se  Se37  1  0.000  0.318  0.285  1.0
  Se  Se38  1  0.500  0.182  0.785  1.0
  Se  Se39  1  0.500  0.818  0.215  1.0
[/CIF]
.
The compound described by Pr3InSe6 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to one Se(1), one Se(3), one Se(6), two equivalent Se(2), and two equivalent Se(4) atoms to form distorted PrSe7 pentagonal bipyramids that share  a cornercorner with one In(1)Se6 octahedra, edges with two equivalent In(2)Se6 octahedra, and edges with two equivalent Pr(1)Se7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 40°. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one Se(1), one Se(4), two equivalent Se(2), two equivalent Se(5), and two equivalent Se(6) atoms. In the third Pr site, Pr(3) is bonded in a 8-coordinate geometry to one Se(1), one Se(5), two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Se(3) and four equivalent Se(5) atoms to form InSe6 octahedra that share corners with two equivalent Pr(1)Se7 pentagonal bipyramids and edges with two equivalent In(1)Se6 octahedra. In the second In site, In(2) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form InSe6 octahedra that share edges with two equivalent In(2)Se6 octahedra and edges with four equivalent Pr(1)Se7 pentagonal bipyramids. There are six inequivalent Se sites. In the first Se site, Se(5) is bonded to one Pr(3), two equivalent Pr(2), and two equivalent In(1) atoms to form SePr3In2 trigonal bipyramids that share corners with two equivalent Se(2)Pr4In square pyramids, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with three equivalent Se(1)Pr3In2 trigonal bipyramids, corners with four equivalent Se(6)Pr5 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid,  an edgeedge with one Se(6)Pr5 trigonal bipyramid, edges with two equivalent Se(4)Pr5 trigonal bipyramids, edges with three equivalent Se(5)Pr3In2 trigonal bipyramids, and edges with two equivalent Se(3)Pr3In trigonal pyramids. In the second Se site, Se(6) is bonded to one Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form distorted SePr5 trigonal bipyramids that share corners with four equivalent Se(2)Pr4In square pyramids,  a cornercorner with one Se(1)Pr3In2 trigonal bipyramid, corners with two equivalent Se(4)Pr5 trigonal bipyramids, corners with four equivalent Se(5)Pr3In2 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid,  an edgeedge with one Se(5)Pr3In2 trigonal bipyramid, edges with two equivalent Se(1)Pr3In2 trigonal bipyramids, edges with two equivalent Se(6)Pr5 trigonal bipyramids, edges with three equivalent Se(4)Pr5 trigonal bipyramids, and  a faceface with one Se(3)Pr3In trigonal pyramid. In the third Se site, Se(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and two equivalent In(2) atoms to form distorted SePr3In2 trigonal bipyramids that share  a cornercorner with one Se(4)Pr5 trigonal bipyramid,  a cornercorner with one Se(6)Pr5 trigonal bipyramid, corners with three equivalent Se(5)Pr3In2 trigonal bipyramids, corners with four equivalent Se(1)Pr3In2 trigonal bipyramids, corners with three equivalent Se(3)Pr3In trigonal pyramids, edges with four equivalent Se(2)Pr4In square pyramids,  an edgeedge with one Se(1)Pr3In2 trigonal bipyramid, edges with two equivalent Se(4)Pr5 trigonal bipyramids, and edges with two equivalent Se(6)Pr5 trigonal bipyramids. In the fourth Se site, Se(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and one In(2) atom to form SePr4In square pyramids that share  a cornercorner with one Se(2)Pr4In square pyramid, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with four equivalent Se(4)Pr5 trigonal bipyramids, corners with four equivalent Se(6)Pr5 trigonal bipyramids, corners with two equivalent Se(3)Pr3In trigonal pyramids, edges with two equivalent Se(2)Pr4In square pyramids,  an edgeedge with one Se(5)Pr3In2 trigonal bipyramid,  an edgeedge with one Se(4)Pr5 trigonal bipyramid,  an edgeedge with one Se(6)Pr5 trigonal bipyramid, and edges with four equivalent Se(1)Pr3In2 trigonal bipyramids. In the fifth Se site, Se(3) is bonded to one Pr(1), two equivalent Pr(3), and one In(1) atom to form distorted SePr3In trigonal pyramids that share corners with two equivalent Se(2)Pr4In square pyramids, corners with two equivalent Se(5)Pr3In2 trigonal bipyramids, corners with two equivalent Se(6)Pr5 trigonal bipyramids, corners with three equivalent Se(1)Pr3In2 trigonal bipyramids, corners with four equivalent Se(4)Pr5 trigonal bipyramids, corners with three equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(4)Pr5 trigonal bipyramid, edges with two equivalent Se(5)Pr3In2 trigonal bipyramids, and  a faceface with one Se(6)Pr5 trigonal bipyramid. In the sixth Se site, Se(4) is bonded to one Pr(2), two equivalent Pr(1), and two equivalent Pr(3) atoms to form distorted SePr5 trigonal bipyramids that share corners with four equivalent Se(2)Pr4In square pyramids,  a cornercorner with one Se(1)Pr3In2 trigonal bipyramid, corners with two equivalent Se(6)Pr5 trigonal bipyramids, corners with four equivalent Se(3)Pr3In trigonal pyramids,  an edgeedge with one Se(2)Pr4In square pyramid, edges with two equivalent Se(1)Pr3In2 trigonal bipyramids, edges with two equivalent Se(5)Pr3In2 trigonal bipyramids, edges with two equivalent Se(4)Pr5 trigonal bipyramids, edges with three equivalent Se(6)Pr5 trigonal bipyramids, and  an edgeedge with one Se(3)Pr3In trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3InSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.157
_cell_length_b   14.505
_cell_length_c   17.675
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1065.747
_cell_formula_units_Z   4
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  0.500  0.687  0.355  1.0
  Pr  Pr1  1  0.500  0.313  0.645  1.0
  Pr  Pr2  1  0.000  0.187  0.145  1.0
  Pr  Pr3  1  0.000  0.813  0.855  1.0
  Pr  Pr4  1  0.000  0.748  0.105  1.0
  Pr  Pr5  1  0.000  0.252  0.895  1.0
  Pr  Pr6  1  0.500  0.248  0.395  1.0
  Pr  Pr7  1  0.500  0.752  0.605  1.0
  Pr  Pr8  1  0.000  0.959  0.277  1.0
  Pr  Pr9  1  0.000  0.041  0.723  1.0
  Pr  Pr10  1  0.500  0.459  0.223  1.0
  Pr  Pr11  1  0.500  0.541  0.777  1.0
  In  In12  1  0.000  0.500  0.000  1.0
  In  In13  1  0.500  0.000  0.500  1.0
  In  In14  1  0.000  0.500  0.500  1.0
  In  In15  1  0.500  0.000  0.000  1.0
  Se  Se16  1  0.000  0.978  0.102  1.0
  Se  Se17  1  0.000  0.022  0.898  1.0
  Se  Se18  1  0.500  0.478  0.398  1.0
  Se  Se19  1  0.500  0.522  0.602  1.0
  Se  Se20  1  0.000  0.689  0.481  1.0
  Se  Se21  1  0.000  0.311  0.519  1.0
  Se  Se22  1  0.500  0.189  0.019  1.0
  Se  Se23  1  0.500  0.811  0.981  1.0
  Se  Se24  1  0.500  0.888  0.387  1.0
  Se  Se25  1  0.500  0.112  0.613  1.0
  Se  Se26  1  0.000  0.388  0.113  1.0
  Se  Se27  1  0.000  0.612  0.887  1.0
  Se  Se28  1  0.000  0.611  0.252  1.0
  Se  Se29  1  0.000  0.389  0.748  1.0
  Se  Se30  1  0.500  0.111  0.248  1.0
  Se  Se31  1  0.500  0.889  0.752  1.0
  Se  Se32  1  0.000  0.907  0.583  1.0
  Se  Se33  1  0.000  0.093  0.417  1.0
  Se  Se34  1  0.500  0.407  0.917  1.0
  Se  Se35  1  0.500  0.593  0.083  1.0
  Se  Se36  1  0.000  0.682  0.715  1.0
  Se  Se37  1  0.000  0.318  0.285  1.0
  Se  Se38  1  0.500  0.182  0.785  1.0
  Se  Se39  1  0.500  0.818  0.215  1.0
[/CIF]
.