data_Al2Br7N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08
_cell_length_b   10.17
_cell_length_c   11.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Br7N
_chemical_formula_sum   'Al8 Br28 N4'
_cell_volume   1584.71
_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
  Al  Al0  1  0.55  0.31  0.95  1.0
  Al  Al1  1  0.53  0.86  0.9  1.0
  Al  Al2  1  0.07  0.23  0.9  1.0
  Al  Al3  1  0.01  0.95  0.95  1.0
  Al  Al4  1  0.87  0.76  0.07  1.0
  Al  Al5  1  0.21  0.41  0.03  1.0
  Al  Al6  1  0.75  0.68  0.03  1.0
  Al  Al7  1  0.33  0.5  0.07  1.0
  Br  Br8  1  0.74  0.96  0.64  1.0
  Br  Br9  1  0.34  0.22  0.69  1.0
  Br  Br10  1  0.88  0.04  0.69  1.0
  Br  Br11  1  0.2  0.13  0.64  1.0
  Br  Br12  1  0.13  0.28  0.63  1.0
  Br  Br13  1  0.95  0.89  0.58  1.0
  Br  Br14  1  0.41  0.37  0.58  1.0
  Br  Br15  1  0.67  0.8  0.63  1.0
  Br  Br16  1  0.18  0.21  0.74  1.0
  Br  Br17  1  0.9  0.96  0.69  1.0
  Br  Br18  1  0.44  0.3  0.69  1.0
  Br  Br19  1  0.64  0.88  0.74  1.0
  Br  Br20  1  0.87  0.45  0.57  1.0
  Br  Br21  1  0.21  0.72  0.52  1.0
  Br  Br22  1  0.75  0.37  0.52  1.0
  Br  Br23  1  0.33  0.81  0.57  1.0
  Br  Br24  1  0.29  0.56  0.28  1.0
  Br  Br25  1  0.79  0.61  0.23  1.0
  Br  Br26  1  0.33  0.47  0.23  1.0
  Br  Br27  1  0.75  0.7  0.28  1.0
  Br  Br28  1  0.63  0.83  0.3  1.0
  Br  Br29  1  0.45  0.34  0.25  1.0
  Br  Br30  1  0.99  0.92  0.25  1.0
  Br  Br31  1  0.09  0.26  0.3  1.0
  Br  Br32  1  0.88  0.72  0.44  1.0
  Br  Br33  1  0.2  0.45  0.4  1.0
  Br  Br34  1  0.74  0.63  0.4  1.0
  Br  Br35  1  0.34  0.54  0.44  1.0
  N  N36  1  0.48  0.43  0.11  1.0
  N  N37  1  0.6  0.75  0.07  1.0
  N  N38  1  0.14  0.51  0.07  1.0
  N  N39  1  0.94  0.66  0.11  1.0

data_Al2Br7N
_symmetry_space_group_name_H-M   P1
_cell_length_a   10.17
_cell_length_b   11.91
_cell_length_c   13.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Br7N
_chemical_formula_sum   'Al8 Br28 N4'
_cell_volume   1584.71
_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
  Al  Al0  1  0.23  0.9  0.07  1.0
  Al  Al1  1  0.31  0.95  0.55  1.0
  Al  Al2  1  0.41  0.03  0.21  1.0
  Al  Al3  1  0.5  0.07  0.33  1.0
  Al  Al4  1  0.68  0.03  0.75  1.0
  Al  Al5  1  0.76  0.07  0.87  1.0
  Al  Al6  1  0.86  0.9  0.53  1.0
  Al  Al7  1  0.95  0.95  0.01  1.0
  Br  Br8  1  0.04  0.69  0.88  1.0
  Br  Br9  1  0.13  0.64  0.2  1.0
  Br  Br10  1  0.21  0.74  0.18  1.0
  Br  Br11  1  0.22  0.69  0.34  1.0
  Br  Br12  1  0.26  0.3  0.09  1.0
  Br  Br13  1  0.28  0.63  0.13  1.0
  Br  Br14  1  0.3  0.69  0.44  1.0
  Br  Br15  1  0.34  0.25  0.45  1.0
  Br  Br16  1  0.37  0.52  0.75  1.0
  Br  Br17  1  0.37  0.58  0.41  1.0
  Br  Br18  1  0.45  0.57  0.87  1.0
  Br  Br19  1  0.45  0.4  0.2  1.0
  Br  Br20  1  0.47  0.23  0.33  1.0
  Br  Br21  1  0.54  0.44  0.34  1.0
  Br  Br22  1  0.56  0.28  0.29  1.0
  Br  Br23  1  0.61  0.23  0.79  1.0
  Br  Br24  1  0.63  0.4  0.74  1.0
  Br  Br25  1  0.7  0.28  0.75  1.0
  Br  Br26  1  0.72  0.44  0.88  1.0
  Br  Br27  1  0.72  0.52  0.21  1.0
  Br  Br28  1  0.8  0.63  0.67  1.0
  Br  Br29  1  0.81  0.57  0.33  1.0
  Br  Br30  1  0.83  0.3  0.63  1.0
  Br  Br31  1  0.88  0.74  0.64  1.0
  Br  Br32  1  0.89  0.58  0.95  1.0
  Br  Br33  1  0.92  0.25  0.99  1.0
  Br  Br34  1  0.96  0.64  0.74  1.0
  Br  Br35  1  0.96  0.69  0.9  1.0
  N  N36  1  0.43  0.11  0.48  1.0
  N  N37  1  0.51  0.07  0.14  1.0
  N  N38  1  0.66  0.11  0.94  1.0
  N  N39  1  0.75  0.07  0.6  1.0

Al Al Al Al Al Al Al Al 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 Br Br N N N N
Al Al Al Al Al Al Al Al 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 Br Br N N N N 0 36 o o + 1 37 o o + 1 19 o o o 2 3 o - o 2 16 o o o 2 5 o o + 3 39 - o + 3 30 - o + 3 4 - o + 3 10 - + o 3 17 - o o 4 39 o o o 4 6 o o o 4 30 o o o 5 38 o o o 5 7 o o o 6 37 o o o 7 26 o o o 7 36 o o o 8 15 o o o 8 19 o o o 8 10 o + o 8 17 o o o 9 18 o o o 10 17 o - o 11 16 o o o 11 12 o o o 12 16 o o o 13 17 o o o 14 18 o o o 15 19 o o o 20 22 o o o 21 23 o o o 24 26 o o o 24 33 o o o 24 35 o o o 25 27 o o o 26 29 o o o 27 28 o o o 27 30 o o o 27 34 o o o 29 36 o o o 30 39 o o o 30 32 o o o 30 31 + + o 31 33 o o o 32 34 o o o 33 35 o o o 