data_Pr8Br13N3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.94
_cell_length_b   11.94
_cell_length_c   17.14
_cell_angle_alpha   117.15
_cell_angle_beta   117.15
_cell_angle_gamma   41.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr8Br13N3O
_chemical_formula_sum   'Pr16 Br26 N6 O2'
_cell_volume   1423.03
_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  0.72  0.4  0.3  1.0
  Pr  Pr1  1  0.98  0.36  0.12  1.0
  Pr  Pr2  1  0.17  0.64  0.64  1.0
  Pr  Pr3  1  0.91  0.6  0.83  1.0
  Pr  Pr4  1  0.88  0.1  0.28  1.0
  Pr  Pr5  1  0.95  0.06  0.18  1.0
  Pr  Pr6  1  0.13  0.94  0.71  1.0
  Pr  Pr7  1  0.07  0.9  0.8  1.0
  Pr  Pr8  1  0.45  0.7  0.27  1.0
  Pr  Pr9  1  0.27  0.7  0.17  1.0
  Pr  Pr10  1  0.46  0.3  0.7  1.0
  Pr  Pr11  1  0.64  0.3  0.79  1.0
  Pr  Pr12  1  0.86  0.46  0.06  1.0
  Pr  Pr13  1  0.82  0.45  0.36  1.0
  Pr  Pr14  1  0.01  0.55  0.89  1.0
  Pr  Pr15  1  0.05  0.54  0.58  1.0
  Br  Br16  1  0.7  0.29  0.89  1.0
  Br  Br17  1  0.01  0.29  0.56  1.0
  Br  Br18  1  0.2  0.71  0.09  1.0
  Br  Br19  1  0.89  0.71  0.42  1.0
  Br  Br20  1  0.47  0.64  0.41  1.0
  Br  Br21  1  0.23  0.61  0.02  1.0
  Br  Br22  1  0.42  0.39  0.54  1.0
  Br  Br23  1  0.66  0.36  0.93  1.0
  Br  Br24  1  0.11  0.81  0.55  1.0
  Br  Br25  1  0.61  0.81  0.87  1.0
  Br  Br26  1  0.8  0.19  0.39  1.0
  Br  Br27  1  0.3  0.19  0.07  1.0
  Br  Br28  1  0.96  0.46  0.9  1.0
  Br  Br29  1  0.8  0.46  0.51  1.0
  Br  Br30  1  0.98  0.54  0.04  1.0
  Br  Br31  1  0.15  0.54  0.43  1.0
  Br  Br32  1  0.87  0.15  0.22  1.0
  Br  Br33  1  0.06  0.85  0.75  1.0
  Br  Br34  1  0.42  0.51  0.23  1.0
  Br  Br35  1  0.29  0.51  0.22  1.0
  Br  Br36  1  0.48  0.49  0.75  1.0
  Br  Br37  1  0.61  0.49  0.76  1.0
  Br  Br38  1  0.55  0.3  0.89  1.0
  Br  Br39  1  0.19  0.3  0.51  1.0
  Br  Br40  1  0.38  0.7  0.03  1.0
  Br  Br41  1  0.74  0.7  0.42  1.0
  N  N42  1  0.74  0.34  0.94  1.0
  N  N43  1  0.92  0.66  0.46  1.0
  N  N44  1  0.16  0.3  0.41  1.0
  N  N45  1  0.6  0.3  0.0  1.0
  N  N46  1  0.79  0.7  0.53  1.0
  N  N47  1  0.35  0.7  0.93  1.0
  O  O48  1  0.97  0.33  0.47  1.0
  O  O49  1  0.16  0.67  1.0  1.0

data_Pr8Br13N3O
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.54
_cell_length_b   11.94
_cell_length_c   15.8
_cell_angle_alpha   74.9
_cell_angle_beta   74.32
_cell_angle_gamma   69.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr8Br13N3O
_chemical_formula_sum   'Pr16 Br26 N6 O2'
_cell_volume   1423.03
_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  0.06  0.37  0.71  1.0
  Pr  Pr1  1  0.1  0.17  0.8  1.0
  Pr  Pr2  1  0.3  0.88  0.27  1.0
  Pr  Pr3  1  0.3  0.79  0.17  1.0
  Pr  Pr4  1  0.36  0.17  0.64  1.0
  Pr  Pr5  1  0.4  0.68  0.83  1.0
  Pr  Pr6  1  0.45  0.67  0.89  1.0
  Pr  Pr7  1  0.46  0.0  0.58  1.0
  Pr  Pr8  1  0.54  0.26  0.06  1.0
  Pr  Pr9  1  0.55  0.91  0.36  1.0
  Pr  Pr10  1  0.6  0.82  0.3  1.0
  Pr  Pr11  1  0.64  0.22  0.12  1.0
  Pr  Pr12  1  0.7  0.06  0.7  1.0
  Pr  Pr13  1  0.7  0.15  0.79  1.0
  Pr  Pr14  1  0.9  0.71  0.28  1.0
  Pr  Pr15  1  0.94  0.82  0.18  1.0
  Br  Br16  1  0.15  0.16  0.75  1.0
  Br  Br17  1  0.19  0.38  0.55  1.0
  Br  Br18  1  0.19  0.55  0.87  1.0
  Br  Br19  1  0.29  0.19  0.42  1.0
  Br  Br20  1  0.29  0.82  0.09  1.0
  Br  Br21  1  0.3  0.02  0.42  1.0
  Br  Br22  1  0.3  0.04  0.03  1.0
  Br  Br23  1  0.36  0.71  0.41  1.0
  Br  Br24  1  0.39  0.83  0.02  1.0
  Br  Br25  1  0.46  0.26  0.43  1.0
  Br  Br26  1  0.46  0.48  0.04  1.0
  Br  Br27  1  0.49  0.59  0.22  1.0
  Br  Br28  1  0.49  0.7  0.23  1.0
  Br  Br29  1  0.51  0.35  0.76  1.0
  Br  Br30  1  0.51  0.22  0.75  1.0
  Br  Br31  1  0.54  0.75  0.51  1.0
  Br  Br32  1  0.54  0.52  0.9  1.0
  Br  Br33  1  0.61  0.26  0.54  1.0
  Br  Br34  1  0.64  0.09  0.93  1.0
  Br  Br35  1  0.7  0.98  0.51  1.0
  Br  Br36  1  0.7  0.96  0.89  1.0
  Br  Br37  1  0.71  0.75  0.56  1.0
  Br  Br38  1  0.71  0.1  0.89  1.0
  Br  Br39  1  0.81  0.6  0.39  1.0
  Br  Br40  1  0.81  0.42  0.07  1.0
  Br  Br41  1  0.85  0.79  0.22  1.0
  N  N42  1  0.3  0.97  0.53  1.0
  N  N43  1  0.3  0.11  0.93  1.0
  N  N44  1  0.34  0.12  0.46  1.0
  N  N45  1  0.66  0.13  0.94  1.0
  N  N46  1  0.7  0.05  0.41  1.0
  N  N47  1  0.7  0.9  0.0  1.0
  O  O48  1  0.33  0.84  1.0  1.0
  O  O49  1  0.67  0.83  0.47  1.0

Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Pr Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br Br N N N N N N O O