The crystal structure described by Pr6S3(OF4)2 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 5-coordinate geometry to two equivalent S(5), two equivalent S(6), two equivalent O(3), one F(13), one F(16), and one F(7) atom. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(6), one O(1), two equivalent O(4), one F(13), and one F(8) atom. In the third Pr site, Pr(3) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(5), two equivalent O(2), one F(13), one F(15), and one F(9) atom. In the fourth Pr site, Pr(4) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(3), one F(10), one F(14), and two equivalent F(16) atoms. In the fifth Pr site, Pr(5) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(4), two equivalent O(1), one F(11), and one F(14) atom. In the sixth Pr site, Pr(6) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(2), one F(12), one F(14), and two equivalent F(15) atoms. In the seventh Pr site, Pr(7) is bonded in a 7-coordinate geometry to two equivalent S(5), one F(1), one F(15), one F(7), two equivalent F(12), and two equivalent F(5) atoms. In the eighth Pr site, Pr(8) is bonded in a 9-coordinate geometry to two equivalent S(6), one F(16), one F(2), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the ninth Pr site, Pr(9) is bonded in a 9-coordinate geometry to two equivalent S(4), one O(1), one F(3), one F(9), two equivalent F(11), and two equivalent F(4) atoms. In the tenth Pr site, Pr(10) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(10), one F(4), two equivalent F(2), and two equivalent F(9) atoms. In the eleventh Pr site, Pr(11) is bonded in a 9-coordinate geometry to two equivalent S(3), one O(3), one F(11), one F(5), two equivalent F(3), and two equivalent F(7) atoms. In the twelfth Pr site, Pr(12) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), one F(12), one F(6), two equivalent F(1), and two equivalent F(8) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(12), two equivalent Pr(5), and two equivalent Pr(6) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent O(1)Pr4 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid,  an edgeedge with one O(1)Pr4 tetrahedra,  an edgeedge with one F(15)Pr4 tetrahedra,  an edgeedge with one F(8)Pr4 tetrahedra, edges with two equivalent O(4)Pr4 tetrahedra, edges with two equivalent F(12)Pr4 tetrahedra, and faces with two equivalent S(1)Pr6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Pr(10), two equivalent Pr(4), and two equivalent Pr(6) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent O(3)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid,  an edgeedge with one F(15)Pr4 tetrahedra,  an edgeedge with one F(16)Pr4 tetrahedra,  an edgeedge with one F(9)Pr4 tetrahedra, edges with two equivalent O(2)Pr4 tetrahedra, edges with two equivalent F(10)Pr4 tetrahedra, and faces with two equivalent S(2)Pr6 pentagonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Pr(11), two equivalent Pr(4), and two equivalent Pr(5) atoms. In the fourth S site, S(4) is bonded to two equivalent Pr(2), two equivalent Pr(3), and two equivalent Pr(9) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(5)Pr6 pentagonal pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid,  an edgeedge with one O(2)Pr4 tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra,  an edgeedge with one F(11)Pr4 tetrahedra, edges with two equivalent O(1)Pr4 tetrahedra, edges with two equivalent F(9)Pr4 tetrahedra, and faces with two equivalent S(4)Pr6 pentagonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Pr(7) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(4)Pr6 pentagonal pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid,  an edgeedge with one O(2)Pr4 tetrahedra,  an edgeedge with one O(3)Pr4 tetrahedra,  an edgeedge with one F(12)Pr4 tetrahedra, edges with two equivalent F(15)Pr4 tetrahedra, edges with two equivalent F(7)Pr4 tetrahedra, and faces with two equivalent S(5)Pr6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(8) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(2), one Pr(9), and two equivalent Pr(5) atoms to form OPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids,  a cornercorner with one F(8)Pr4 tetrahedra,  a cornercorner with one F(9)Pr4 tetrahedra, corners with two equivalent O(1)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid, edges with two equivalent S(4)Pr6 pentagonal pyramids, edges with two equivalent O(4)Pr4 tetrahedra, and edges with two equivalent F(11)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(10), one Pr(6), and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(10)Pr4 tetrahedra,  a cornercorner with one F(12)Pr4 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent S(2)Pr6 pentagonal pyramids, edges with two equivalent F(15)Pr4 tetrahedra, and edges with two equivalent F(9)Pr4 tetrahedra. In the third O site, O(3) is bonded to one Pr(11), one Pr(4), and two equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(10)Pr4 tetrahedra,  a cornercorner with one F(11)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent F(16)Pr4 tetrahedra, and edges with two equivalent F(7)Pr4 tetrahedra. In the fourth O site, O(4) is bonded to one Pr(12), one Pr(5), and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one F(11)Pr4 tetrahedra,  a cornercorner with one F(12)Pr4 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid, edges with two equivalent S(1)Pr6 pentagonal pyramids, edges with two equivalent O(1)Pr4 tetrahedra, and edges with two equivalent F(8)Pr4 tetrahedra. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Pr(7) and two equivalent Pr(12) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Pr(8) and two equivalent Pr(10) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Pr(9) and two equivalent Pr(11) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Pr(10) and two equivalent Pr(9) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Pr(11) and two equivalent Pr(7) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Pr(12) and two equivalent Pr(8) atoms. In the seventh F site, F(7) is bonded to one Pr(1), one Pr(7), and two equivalent Pr(11) atoms to form FPr4 tetrahedra that share  a cornercorner with one F(15)Pr4 tetrahedra,  a cornercorner with one F(16)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, edges with two equivalent S(5)Pr6 pentagonal pyramids, and edges with two equivalent O(3)Pr4 tetrahedra. In the eighth F site, F(8) is bonded to one Pr(2), one Pr(8), and two equivalent Pr(12) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one O(1)Pr4 tetrahedra,  a cornercorner with one F(16)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid, and edges with two equivalent O(4)Pr4 tetrahedra. In the ninth F site, F(9) is bonded to one Pr(3), one Pr(9), and two equivalent Pr(10) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one O(1)Pr4 tetrahedra,  a cornercorner with one F(15)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent S(4)Pr6 pentagonal pyramids, and edges with two equivalent O(2)Pr4 tetrahedra. In the tenth F site, F(10) is bonded to one Pr(10), one Pr(4), and two equivalent Pr(8) atoms to form FPr4 tetrahedra that share  a cornercorner with one O(2)Pr4 tetrahedra,  a cornercorner with one O(3)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra, edges with two equivalent S(2)Pr6 pentagonal pyramids, and edges with two equivalent F(16)Pr4 tetrahedra. In the eleventh F site, F(11) is bonded to one Pr(11), one Pr(5), and two equivalent Pr(9) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one O(3)Pr4 tetrahedra,  a cornercorner with one O(4)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid, and edges with two equivalent O(1)Pr4 tetrahedra. In the twelfth F site, F(12) is bonded to one Pr(12), one Pr(6), and two equivalent Pr(7) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one O(2)Pr4 tetrahedra,  a cornercorner with one O(4)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent S(1)Pr6 pentagonal pyramids, and edges with two equivalent F(15)Pr4 tetrahedra. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Pr(4), one Pr(5), and one Pr(6) atom. In the fifteenth F site, F(15) is bonded to one Pr(3), one Pr(7), and two equivalent Pr(6) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one F(7)Pr4 tetrahedra,  a cornercorner with one F(9)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent S(5)Pr6 pentagonal pyramids, edges with two equivalent O(2)Pr4 tetrahedra, and edges with two equivalent F(12)Pr4 tetrahedra. In the sixteenth F site, F(16) is bonded to one Pr(1), one Pr(8), and two equivalent Pr(4) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(7)Pr4 tetrahedra,  a cornercorner with one F(8)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent O(3)Pr4 tetrahedra, and edges with two equivalent F(10)Pr4 tetrahedra. is represented by the CIF file [CIF]
data_Pr6S3(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.919
_cell_length_b   13.717
_cell_length_c   13.817
_cell_angle_alpha   60.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.037
_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
  Pr  Pr0  1  0.500  0.388  0.138  1.0
  Pr  Pr1  1  0.500  0.473  0.396  1.0
  Pr  Pr2  1  0.500  0.138  0.476  1.0
  Pr  Pr3  1  0.000  0.602  0.860  1.0
  Pr  Pr4  1  0.000  0.525  0.602  1.0
  Pr  Pr5  1  0.000  0.858  0.536  1.0
  Pr  Pr6  1  0.500  0.055  0.227  1.0
  Pr  Pr7  1  0.500  0.718  0.056  1.0
  Pr  Pr8  1  0.500  0.237  0.712  1.0
  Pr  Pr9  1  0.000  0.947  0.762  1.0
  Pr  Pr10  1  0.000  0.292  0.946  1.0
  Pr  Pr11  1  0.000  0.764  0.293  1.0
  S  S12  1  0.500  0.729  0.471  1.0
  S  S13  1  0.500  0.802  0.722  1.0
  S  S14  1  0.500  0.472  0.810  1.0
  S  S15  1  0.000  0.276  0.531  1.0
  S  S16  1  0.000  0.187  0.281  1.0
  S  S17  1  0.000  0.534  0.183  1.0
  O  O18  1  0.500  0.433  0.587  1.0
  O  O19  1  0.000  0.017  0.565  1.0
  O  O20  1  0.000  0.416  0.021  1.0
  O  O21  1  0.000  0.568  0.411  1.0
  F  F22  1  0.500  0.894  0.203  1.0
  F  F23  1  0.500  0.902  0.892  1.0
  F  F24  1  0.500  0.206  0.904  1.0
  F  F25  1  0.000  0.107  0.795  1.0
  F  F26  1  0.000  0.096  0.104  1.0
  F  F27  1  0.000  0.800  0.097  1.0
  F  F28  1  0.500  0.247  0.072  1.0
  F  F29  1  0.500  0.683  0.247  1.0
  F  F30  1  0.500  0.070  0.682  1.0
  F  F31  1  0.000  0.748  0.929  1.0
  F  F32  1  0.000  0.321  0.754  1.0
  F  F33  1  0.000  0.933  0.322  1.0
  F  F34  1  0.500  0.334  0.333  1.0
  F  F35  1  0.000  0.662  0.666  1.0
  F  F36  1  0.500  0.978  0.433  1.0
  F  F37  1  0.500  0.591  0.976  1.0
[/CIF]
.
The crystal structure described by Pr6S3(OF4)2 crystallizes in the monoclinic Pm space group. There are twelve inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 5-coordinate geometry to two equivalent S(5), two equivalent S(6), two equivalent O(3), one F(13), one F(16), and one F(7) atom. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(6), one O(1), two equivalent O(4), one F(13), and one F(8) atom. In the third Pr site, Pr(3) is bonded in a 5-coordinate geometry to two equivalent S(4), two equivalent S(5), two equivalent O(2), one F(13), one F(15), and one F(9) atom. In the fourth Pr site, Pr(4) is bonded in a 9-coordinate geometry to two equivalent S(2), two equivalent S(3), one O(3), one F(10), one F(14), and two equivalent F(16) atoms. In the fifth Pr site, Pr(5) is bonded in a 5-coordinate geometry to two equivalent S(1), two equivalent S(3), one O(4), two equivalent O(1), one F(11), and one F(14) atom. In the sixth Pr site, Pr(6) is bonded in a 9-coordinate geometry to two equivalent S(1), two equivalent S(2), one O(2), one F(12), one F(14), and two equivalent F(15) atoms. In the seventh Pr site, Pr(7) is bonded in a 7-coordinate geometry to two equivalent S(5), one F(1), one F(15), one F(7), two equivalent F(12), and two equivalent F(5) atoms. In the eighth Pr site, Pr(8) is bonded in a 9-coordinate geometry to two equivalent S(6), one F(16), one F(2), one F(8), two equivalent F(10), and two equivalent F(6) atoms. In the ninth Pr site, Pr(9) is bonded in a 9-coordinate geometry to two equivalent S(4), one O(1), one F(3), one F(9), two equivalent F(11), and two equivalent F(4) atoms. In the tenth Pr site, Pr(10) is bonded in a 9-coordinate geometry to two equivalent S(2), one O(2), one F(10), one F(4), two equivalent F(2), and two equivalent F(9) atoms. In the eleventh Pr site, Pr(11) is bonded in a 9-coordinate geometry to two equivalent S(3), one O(3), one F(11), one F(5), two equivalent F(3), and two equivalent F(7) atoms. In the twelfth Pr site, Pr(12) is bonded in a 9-coordinate geometry to two equivalent S(1), one O(4), one F(12), one F(6), two equivalent F(1), and two equivalent F(8) atoms. There are six inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Pr(12), two equivalent Pr(5), and two equivalent Pr(6) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent O(1)Pr4 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid,  an edgeedge with one O(1)Pr4 tetrahedra,  an edgeedge with one F(15)Pr4 tetrahedra,  an edgeedge with one F(8)Pr4 tetrahedra, edges with two equivalent O(4)Pr4 tetrahedra, edges with two equivalent F(12)Pr4 tetrahedra, and faces with two equivalent S(1)Pr6 pentagonal pyramids. In the second S site, S(2) is bonded to two equivalent Pr(10), two equivalent Pr(4), and two equivalent Pr(6) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent O(3)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid,  an edgeedge with one F(15)Pr4 tetrahedra,  an edgeedge with one F(16)Pr4 tetrahedra,  an edgeedge with one F(9)Pr4 tetrahedra, edges with two equivalent O(2)Pr4 tetrahedra, edges with two equivalent F(10)Pr4 tetrahedra, and faces with two equivalent S(2)Pr6 pentagonal pyramids. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent Pr(11), two equivalent Pr(4), and two equivalent Pr(5) atoms. In the fourth S site, S(4) is bonded to two equivalent Pr(2), two equivalent Pr(3), and two equivalent Pr(9) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(5)Pr6 pentagonal pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid,  an edgeedge with one O(2)Pr4 tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra,  an edgeedge with one F(11)Pr4 tetrahedra, edges with two equivalent O(1)Pr4 tetrahedra, edges with two equivalent F(9)Pr4 tetrahedra, and faces with two equivalent S(4)Pr6 pentagonal pyramids. In the fifth S site, S(5) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Pr(7) atoms to form distorted SPr6 pentagonal pyramids that share corners with two equivalent S(4)Pr6 pentagonal pyramids, corners with two equivalent O(2)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid,  an edgeedge with one O(2)Pr4 tetrahedra,  an edgeedge with one O(3)Pr4 tetrahedra,  an edgeedge with one F(12)Pr4 tetrahedra, edges with two equivalent F(15)Pr4 tetrahedra, edges with two equivalent F(7)Pr4 tetrahedra, and faces with two equivalent S(5)Pr6 pentagonal pyramids. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(8) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Pr(2), one Pr(9), and two equivalent Pr(5) atoms to form OPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids,  a cornercorner with one F(8)Pr4 tetrahedra,  a cornercorner with one F(9)Pr4 tetrahedra, corners with two equivalent O(1)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid, edges with two equivalent S(4)Pr6 pentagonal pyramids, edges with two equivalent O(4)Pr4 tetrahedra, and edges with two equivalent F(11)Pr4 tetrahedra. In the second O site, O(2) is bonded to one Pr(10), one Pr(6), and two equivalent Pr(3) atoms to form OPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(10)Pr4 tetrahedra,  a cornercorner with one F(12)Pr4 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent S(2)Pr6 pentagonal pyramids, edges with two equivalent F(15)Pr4 tetrahedra, and edges with two equivalent F(9)Pr4 tetrahedra. In the third O site, O(3) is bonded to one Pr(11), one Pr(4), and two equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(10)Pr4 tetrahedra,  a cornercorner with one F(11)Pr4 tetrahedra, corners with two equivalent O(3)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent F(16)Pr4 tetrahedra, and edges with two equivalent F(7)Pr4 tetrahedra. In the fourth O site, O(4) is bonded to one Pr(12), one Pr(5), and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one F(11)Pr4 tetrahedra,  a cornercorner with one F(12)Pr4 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid, edges with two equivalent S(1)Pr6 pentagonal pyramids, edges with two equivalent O(1)Pr4 tetrahedra, and edges with two equivalent F(8)Pr4 tetrahedra. There are sixteen inequivalent F sites. In the first F site, F(1) is bonded in a trigonal non-coplanar geometry to one Pr(7) and two equivalent Pr(12) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Pr(8) and two equivalent Pr(10) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Pr(9) and two equivalent Pr(11) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Pr(10) and two equivalent Pr(9) atoms. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Pr(11) and two equivalent Pr(7) atoms. In the sixth F site, F(6) is bonded in a trigonal non-coplanar geometry to one Pr(12) and two equivalent Pr(8) atoms. In the seventh F site, F(7) is bonded to one Pr(1), one Pr(7), and two equivalent Pr(11) atoms to form FPr4 tetrahedra that share  a cornercorner with one F(15)Pr4 tetrahedra,  a cornercorner with one F(16)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, edges with two equivalent S(5)Pr6 pentagonal pyramids, and edges with two equivalent O(3)Pr4 tetrahedra. In the eighth F site, F(8) is bonded to one Pr(2), one Pr(8), and two equivalent Pr(12) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one O(1)Pr4 tetrahedra,  a cornercorner with one F(16)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid, and edges with two equivalent O(4)Pr4 tetrahedra. In the ninth F site, F(9) is bonded to one Pr(3), one Pr(9), and two equivalent Pr(10) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one O(1)Pr4 tetrahedra,  a cornercorner with one F(15)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent S(4)Pr6 pentagonal pyramids, and edges with two equivalent O(2)Pr4 tetrahedra. In the tenth F site, F(10) is bonded to one Pr(10), one Pr(4), and two equivalent Pr(8) atoms to form FPr4 tetrahedra that share  a cornercorner with one O(2)Pr4 tetrahedra,  a cornercorner with one O(3)Pr4 tetrahedra, corners with two equivalent F(10)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra, edges with two equivalent S(2)Pr6 pentagonal pyramids, and edges with two equivalent F(16)Pr4 tetrahedra. In the eleventh F site, F(11) is bonded to one Pr(11), one Pr(5), and two equivalent Pr(9) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one O(3)Pr4 tetrahedra,  a cornercorner with one O(4)Pr4 tetrahedra, corners with two equivalent F(11)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, corners with two equivalent F(9)Pr4 tetrahedra,  an edgeedge with one S(4)Pr6 pentagonal pyramid, and edges with two equivalent O(1)Pr4 tetrahedra. In the twelfth F site, F(12) is bonded to one Pr(12), one Pr(6), and two equivalent Pr(7) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one O(2)Pr4 tetrahedra,  a cornercorner with one O(4)Pr4 tetrahedra, corners with two equivalent F(12)Pr4 tetrahedra, corners with two equivalent F(7)Pr4 tetrahedra, corners with two equivalent F(8)Pr4 tetrahedra,  an edgeedge with one S(5)Pr6 pentagonal pyramid, edges with two equivalent S(1)Pr6 pentagonal pyramids, and edges with two equivalent F(15)Pr4 tetrahedra. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the fourteenth F site, F(14) is bonded in a trigonal planar geometry to one Pr(4), one Pr(5), and one Pr(6) atom. In the fifteenth F site, F(15) is bonded to one Pr(3), one Pr(7), and two equivalent Pr(6) atoms to form FPr4 tetrahedra that share corners with two equivalent S(1)Pr6 pentagonal pyramids, corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(4)Pr6 pentagonal pyramids,  a cornercorner with one F(7)Pr4 tetrahedra,  a cornercorner with one F(9)Pr4 tetrahedra, corners with two equivalent F(15)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 pentagonal pyramid,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent S(5)Pr6 pentagonal pyramids, edges with two equivalent O(2)Pr4 tetrahedra, and edges with two equivalent F(12)Pr4 tetrahedra. In the sixteenth F site, F(16) is bonded to one Pr(1), one Pr(8), and two equivalent Pr(4) atoms to form FPr4 tetrahedra that share corners with two equivalent S(2)Pr6 pentagonal pyramids, corners with two equivalent S(5)Pr6 pentagonal pyramids,  a cornercorner with one F(7)Pr4 tetrahedra,  a cornercorner with one F(8)Pr4 tetrahedra, corners with two equivalent F(16)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 pentagonal pyramid, edges with two equivalent O(3)Pr4 tetrahedra, and edges with two equivalent F(10)Pr4 tetrahedra. is represented by the CIF file [CIF]
data_Pr6S3(OF4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.919
_cell_length_b   13.717
_cell_length_c   13.817
_cell_angle_alpha   60.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   645.037
_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
  Pr  Pr0  1  0.500  0.388  0.138  1.0
  Pr  Pr1  1  0.500  0.473  0.396  1.0
  Pr  Pr2  1  0.500  0.138  0.476  1.0
  Pr  Pr3  1  0.000  0.602  0.860  1.0
  Pr  Pr4  1  0.000  0.525  0.602  1.0
  Pr  Pr5  1  0.000  0.858  0.536  1.0
  Pr  Pr6  1  0.500  0.055  0.227  1.0
  Pr  Pr7  1  0.500  0.718  0.056  1.0
  Pr  Pr8  1  0.500  0.237  0.712  1.0
  Pr  Pr9  1  0.000  0.947  0.762  1.0
  Pr  Pr10  1  0.000  0.292  0.946  1.0
  Pr  Pr11  1  0.000  0.764  0.293  1.0
  S  S12  1  0.500  0.729  0.471  1.0
  S  S13  1  0.500  0.802  0.722  1.0
  S  S14  1  0.500  0.472  0.810  1.0
  S  S15  1  0.000  0.276  0.531  1.0
  S  S16  1  0.000  0.187  0.281  1.0
  S  S17  1  0.000  0.534  0.183  1.0
  O  O18  1  0.500  0.433  0.587  1.0
  O  O19  1  0.000  0.017  0.565  1.0
  O  O20  1  0.000  0.416  0.021  1.0
  O  O21  1  0.000  0.568  0.411  1.0
  F  F22  1  0.500  0.894  0.203  1.0
  F  F23  1  0.500  0.902  0.892  1.0
  F  F24  1  0.500  0.206  0.904  1.0
  F  F25  1  0.000  0.107  0.795  1.0
  F  F26  1  0.000  0.096  0.104  1.0
  F  F27  1  0.000  0.800  0.097  1.0
  F  F28  1  0.500  0.247  0.072  1.0
  F  F29  1  0.500  0.683  0.247  1.0
  F  F30  1  0.500  0.070  0.682  1.0
  F  F31  1  0.000  0.748  0.929  1.0
  F  F32  1  0.000  0.321  0.754  1.0
  F  F33  1  0.000  0.933  0.322  1.0
  F  F34  1  0.500  0.334  0.333  1.0
  F  F35  1  0.000  0.662  0.666  1.0
  F  F36  1  0.500  0.978  0.433  1.0
  F  F37  1  0.500  0.591  0.976  1.0
[/CIF]
.