data_Pr3S3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.27
_cell_length_b   4.09
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3S3N
_chemical_formula_sum   'Pr12 S12 N4'
_cell_volume   663.76
_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  0.22  0.02  0.56  1.0
  Pr  Pr1  1  0.6  0.02  0.63  1.0
  Pr  Pr2  1  0.67  0.06  0.61  1.0
  Pr  Pr3  1  0.77  0.02  0.49  1.0
  Pr  Pr4  1  0.08  0.02  0.3  1.0
  Pr  Pr5  1  0.37  0.06  0.87  1.0
  Pr  Pr6  1  0.46  0.02  0.99  1.0
  Pr  Pr7  1  0.81  0.06  0.25  1.0
  Pr  Pr8  1  0.19  0.06  0.94  1.0
  Pr  Pr9  1  0.9  0.02  0.37  1.0
  Pr  Pr10  1  0.5  0.06  0.75  1.0
  Pr  Pr11  1  0.05  0.06  0.68  1.0
  S  S12  1  0.39  0.02  0.6  1.0
  S  S13  1  0.74  0.06  0.22  1.0
  S  S14  1  0.53  0.02  0.02  1.0
  S  S15  1  0.86  0.06  0.28  1.0
  S  S16  1  0.32  0.06  0.04  1.0
  S  S17  1  0.88  0.06  0.64  1.0
  S  S18  1  0.19  0.06  0.82  1.0
  S  S19  1  0.41  0.02  0.96  1.0
  S  S20  1  1.0  0.06  0.58  1.0
  S  S21  1  0.27  0.02  0.66  1.0
  S  S22  1  0.95  0.02  0.2  1.0
  S  S23  1  0.08  0.02  0.42  1.0
  N  N24  1  0.74  0.02  0.29  1.0
  N  N25  1  0.61  0.02  0.57  1.0
  N  N26  1  0.53  0.06  0.95  1.0
  N  N27  1  0.66  0.06  0.67  1.0

data_Pr3S3N
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.09
_cell_length_b   12.27
_cell_length_c   13.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pr3S3N
_chemical_formula_sum   'Pr12 S12 N4'
_cell_volume   663.76
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.48  0.13  0.87  1.0
  Pr  Pr1  2  0.48  0.27  0.75  1.0
  Pr  Pr2  2  0.48  0.45  0.68  1.0
  Pr  Pr3  2  0.48  0.58  0.94  1.0
  Pr  Pr4  2  0.48  0.83  0.37  1.0
  Pr  Pr5  2  0.48  0.96  0.01  1.0
  S  S6  2  0.48  0.31  0.58  1.0
  S  S7  2  0.48  0.45  0.8  1.0
  S  S8  2  0.48  0.64  0.04  1.0
  S  S9  2  0.48  0.76  0.98  1.0
  S  S10  2  0.48  0.77  0.34  1.0
  S  S11  2  0.48  0.89  0.4  1.0
  N  N12  2  0.48  0.11  0.67  1.0
  N  N13  2  0.48  0.97  0.95  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr S S S S S S S S S S S S N N N N
Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr S S S S S S S S S S S S N N N N 0 21 o o o 1 25 o o o 1 2 o o o 1 27 o o o 1 10 o o o 2 25 o o o 2 27 o o o 2 3 o o o 3 25 o o o 3 9 o o o 3 17 o o o 4 23 o o o 5 19 o o o 5 10 o o o 6 19 o o o 6 14 o o + 6 26 o o o 7 13 o o o 7 15 o o o 7 24 o o o 8 18 o o o 9 15 o o o 10 12 o o o 10 27 o o o 11 20 - o o 12 21 o o o 13 24 o o o 14 26 o o - 15 22 o o o 16 19 o o - 17 20 o o o 