The material structure described by Pr4N2S3 crystallizes in the monoclinic C2/c space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one S(1), one S(2), one S(3), and one S(4) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one S(3), one S(4), and three equivalent S(1) atoms. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Pr site, Pr(4) is bonded in a 7-coordinate geometry to one N(1), one N(2), one S(1), one S(2), and three equivalent S(3) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share  a cornercorner with one S(2)Pr6 octahedra,  a cornercorner with one S(4)Pr6 octahedra, corners with two equivalent S(3)Pr6 octahedra, corners with four equivalent S(1)Pr6 octahedra, corners with two equivalent N(2)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 octahedra,  an edgeedge with one S(2)Pr6 octahedra,  an edgeedge with one S(4)Pr6 octahedra, edges with two equivalent S(3)Pr6 octahedra, and  an edgeedge with one N(2)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-69°. In the second N site, N(2) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share  a cornercorner with one S(2)Pr6 octahedra,  a cornercorner with one S(4)Pr6 octahedra, corners with two equivalent S(1)Pr6 octahedra, corners with four equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 octahedra,  an edgeedge with one S(3)Pr6 octahedra,  an edgeedge with one S(4)Pr6 octahedra, edges with two equivalent S(1)Pr6 octahedra, and  an edgeedge with one N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-80°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1), one Pr(3), one Pr(4), and three equivalent Pr(2) atoms to form distorted SPr6 octahedra that share corners with two equivalent S(1)Pr6 octahedra, corners with two equivalent S(4)Pr6 octahedra, corners with three equivalent S(2)Pr6 octahedra, corners with two equivalent N(2)Pr4 tetrahedra, corners with four equivalent N(1)Pr4 tetrahedra, edges with two equivalent S(1)Pr6 octahedra, edges with four equivalent S(3)Pr6 octahedra,  an edgeedge with one N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and  a faceface with one S(4)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the second S site, S(2) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Pr(4) atoms to form SPr6 octahedra that share corners with four equivalent S(3)Pr6 octahedra, corners with six equivalent S(1)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with two equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(4)Pr6 octahedra, edges with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and faces with two equivalent S(3)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the third S site, S(3) is bonded to one Pr(1), one Pr(2), one Pr(3), and three equivalent Pr(4) atoms to form distorted SPr6 octahedra that share corners with two equivalent S(2)Pr6 octahedra, corners with two equivalent S(3)Pr6 octahedra, corners with three equivalent S(4)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with four equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(3)Pr6 octahedra, edges with four equivalent S(1)Pr6 octahedra,  an edgeedge with one N(2)Pr4 tetrahedra, edges with two equivalent N(1)Pr4 tetrahedra, and  a faceface with one S(2)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 19-59°. In the fourth S site, S(4) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form SPr6 octahedra that share corners with four equivalent S(1)Pr6 octahedra, corners with six equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with two equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(2)Pr6 octahedra, edges with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and faces with two equivalent S(1)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. is represented by the CIF card [CIF]
data_Pr4S3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   12.814
_cell_angle_alpha   52.166
_cell_angle_beta   52.166
_cell_angle_gamma   57.887
_symmetry_Int_Tables_number   1
_cell_volume   824.129
_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  0.717  0.636  0.437  1.0
  Pr  Pr1  1  0.188  0.082  0.976  1.0
  Pr  Pr2  1  0.082  0.188  0.476  1.0
  Pr  Pr3  1  0.283  0.364  0.563  1.0
  Pr  Pr4  1  0.636  0.717  0.937  1.0
  Pr  Pr5  1  0.613  0.203  0.685  1.0
  Pr  Pr6  1  0.812  0.422  0.255  1.0
  Pr  Pr7  1  0.387  0.797  0.315  1.0
  Pr  Pr8  1  0.203  0.613  0.185  1.0
  Pr  Pr9  1  0.364  0.283  0.063  1.0
  Pr  Pr10  1  0.918  0.812  0.524  1.0
  Pr  Pr11  1  0.422  0.812  0.755  1.0
  Pr  Pr12  1  0.812  0.918  0.024  1.0
  Pr  Pr13  1  0.188  0.578  0.745  1.0
  Pr  Pr14  1  0.578  0.188  0.245  1.0
  Pr  Pr15  1  0.797  0.387  0.815  1.0
  S  S16  1  0.097  0.103  0.775  1.0
  S  S17  1  0.521  0.479  0.750  1.0
  S  S18  1  0.390  0.888  0.492  1.0
  S  S19  1  0.112  0.610  0.008  1.0
  S  S20  1  0.479  0.521  0.250  1.0
  S  S21  1  0.103  0.097  0.275  1.0
  S  S22  1  0.903  0.897  0.225  1.0
  S  S23  1  0.610  0.112  0.508  1.0
  S  S24  1  0.000  0.500  0.500  1.0
  S  S25  1  0.897  0.903  0.725  1.0
  S  S26  1  0.888  0.390  0.992  1.0
  S  S27  1  0.500  1.000  0.000  1.0
  N  N28  1  0.302  0.315  0.256  1.0
  N  N29  1  0.315  0.302  0.756  1.0
  N  N30  1  0.645  0.186  0.037  1.0
  N  N31  1  0.685  0.698  0.244  1.0
  N  N32  1  0.698  0.685  0.744  1.0
  N  N33  1  0.355  0.814  0.963  1.0
  N  N34  1  0.814  0.355  0.463  1.0
  N  N35  1  0.186  0.645  0.537  1.0
[/CIF]
.
The material structure described by Pr4N2S3 crystallizes in the monoclinic C2/c space group. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to one N(1), one N(2), one S(1), one S(2), one S(3), and one S(4) atom. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one N(1), one N(2), one S(3), one S(4), and three equivalent S(1) atoms. In the third Pr site, Pr(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Pr site, Pr(4) is bonded in a 7-coordinate geometry to one N(1), one N(2), one S(1), one S(2), and three equivalent S(3) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share  a cornercorner with one S(2)Pr6 octahedra,  a cornercorner with one S(4)Pr6 octahedra, corners with two equivalent S(3)Pr6 octahedra, corners with four equivalent S(1)Pr6 octahedra, corners with two equivalent N(2)Pr4 tetrahedra,  an edgeedge with one S(1)Pr6 octahedra,  an edgeedge with one S(2)Pr6 octahedra,  an edgeedge with one S(4)Pr6 octahedra, edges with two equivalent S(3)Pr6 octahedra, and  an edgeedge with one N(2)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-69°. In the second N site, N(2) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share  a cornercorner with one S(2)Pr6 octahedra,  a cornercorner with one S(4)Pr6 octahedra, corners with two equivalent S(1)Pr6 octahedra, corners with four equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra,  an edgeedge with one S(2)Pr6 octahedra,  an edgeedge with one S(3)Pr6 octahedra,  an edgeedge with one S(4)Pr6 octahedra, edges with two equivalent S(1)Pr6 octahedra, and  an edgeedge with one N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-80°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Pr(1), one Pr(3), one Pr(4), and three equivalent Pr(2) atoms to form distorted SPr6 octahedra that share corners with two equivalent S(1)Pr6 octahedra, corners with two equivalent S(4)Pr6 octahedra, corners with three equivalent S(2)Pr6 octahedra, corners with two equivalent N(2)Pr4 tetrahedra, corners with four equivalent N(1)Pr4 tetrahedra, edges with two equivalent S(1)Pr6 octahedra, edges with four equivalent S(3)Pr6 octahedra,  an edgeedge with one N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and  a faceface with one S(4)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 25-58°. In the second S site, S(2) is bonded to two equivalent Pr(1), two equivalent Pr(3), and two equivalent Pr(4) atoms to form SPr6 octahedra that share corners with four equivalent S(3)Pr6 octahedra, corners with six equivalent S(1)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with two equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(4)Pr6 octahedra, edges with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and faces with two equivalent S(3)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 34-58°. In the third S site, S(3) is bonded to one Pr(1), one Pr(2), one Pr(3), and three equivalent Pr(4) atoms to form distorted SPr6 octahedra that share corners with two equivalent S(2)Pr6 octahedra, corners with two equivalent S(3)Pr6 octahedra, corners with three equivalent S(4)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with four equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(3)Pr6 octahedra, edges with four equivalent S(1)Pr6 octahedra,  an edgeedge with one N(2)Pr4 tetrahedra, edges with two equivalent N(1)Pr4 tetrahedra, and  a faceface with one S(2)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 19-59°. In the fourth S site, S(4) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Pr(3) atoms to form SPr6 octahedra that share corners with four equivalent S(1)Pr6 octahedra, corners with six equivalent S(3)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, corners with two equivalent N(2)Pr4 tetrahedra, edges with two equivalent S(2)Pr6 octahedra, edges with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent N(2)Pr4 tetrahedra, and faces with two equivalent S(1)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. is represented by the CIF card [CIF]
data_Pr4S3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.318
_cell_length_b   10.318
_cell_length_c   12.814
_cell_angle_alpha   52.166
_cell_angle_beta   52.166
_cell_angle_gamma   57.887
_symmetry_Int_Tables_number   1
_cell_volume   824.129
_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  0.717  0.636  0.437  1.0
  Pr  Pr1  1  0.188  0.082  0.976  1.0
  Pr  Pr2  1  0.082  0.188  0.476  1.0
  Pr  Pr3  1  0.283  0.364  0.563  1.0
  Pr  Pr4  1  0.636  0.717  0.937  1.0
  Pr  Pr5  1  0.613  0.203  0.685  1.0
  Pr  Pr6  1  0.812  0.422  0.255  1.0
  Pr  Pr7  1  0.387  0.797  0.315  1.0
  Pr  Pr8  1  0.203  0.613  0.185  1.0
  Pr  Pr9  1  0.364  0.283  0.063  1.0
  Pr  Pr10  1  0.918  0.812  0.524  1.0
  Pr  Pr11  1  0.422  0.812  0.755  1.0
  Pr  Pr12  1  0.812  0.918  0.024  1.0
  Pr  Pr13  1  0.188  0.578  0.745  1.0
  Pr  Pr14  1  0.578  0.188  0.245  1.0
  Pr  Pr15  1  0.797  0.387  0.815  1.0
  S  S16  1  0.097  0.103  0.775  1.0
  S  S17  1  0.521  0.479  0.750  1.0
  S  S18  1  0.390  0.888  0.492  1.0
  S  S19  1  0.112  0.610  0.008  1.0
  S  S20  1  0.479  0.521  0.250  1.0
  S  S21  1  0.103  0.097  0.275  1.0
  S  S22  1  0.903  0.897  0.225  1.0
  S  S23  1  0.610  0.112  0.508  1.0
  S  S24  1  0.000  0.500  0.500  1.0
  S  S25  1  0.897  0.903  0.725  1.0
  S  S26  1  0.888  0.390  0.992  1.0
  S  S27  1  0.500  1.000  0.000  1.0
  N  N28  1  0.302  0.315  0.256  1.0
  N  N29  1  0.315  0.302  0.756  1.0
  N  N30  1  0.645  0.186  0.037  1.0
  N  N31  1  0.685  0.698  0.244  1.0
  N  N32  1  0.698  0.685  0.744  1.0
  N  N33  1  0.355  0.814  0.963  1.0
  N  N34  1  0.814  0.355  0.463  1.0
  N  N35  1  0.186  0.645  0.537  1.0
[/CIF]
.