data_ZnH8C2(BrN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.34
_cell_length_b   11.34
_cell_length_c   11.34
_cell_angle_alpha   65.15
_cell_angle_beta   142.99
_cell_angle_gamma   128.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C2(BrN)2
_chemical_formula_sum   'Zn4 H32 C8 Br8 N8'
_cell_volume   678.83
_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
  Zn  Zn0  1  0.78  0.25  0.25  1.0
  Zn  Zn1  1  0.78  0.35  0.31  1.0
  Zn  Zn2  1  0.0  0.0  0.07  1.0
  Zn  Zn3  1  0.56  0.0  0.07  1.0
  H  H4  1  0.63  0.75  0.26  1.0
  H  H5  1  0.37  0.45  0.26  1.0
  H  H6  1  0.37  0.15  0.19  1.0
  H  H7  1  0.19  0.45  0.26  1.0
  H  H8  1  0.56  0.32  0.46  1.0
  H  H9  1  0.44  0.88  0.46  1.0
  H  H10  1  0.44  0.72  0.39  1.0
  H  H11  1  0.11  0.88  0.46  1.0
  H  H12  1  0.77  0.67  0.91  1.0
  H  H13  1  0.23  0.53  0.91  1.0
  H  H14  1  0.79  0.67  0.91  1.0
  H  H15  1  0.77  0.93  0.85  1.0
  H  H16  1  0.18  0.88  0.11  1.0
  H  H17  1  0.38  0.72  0.05  1.0
  H  H18  1  0.93  0.28  0.05  1.0
  H  H19  1  0.18  0.72  0.05  1.0
  H  H20  1  0.95  0.05  0.1  1.0
  H  H21  1  0.6  0.55  0.17  1.0
  H  H22  1  0.6  0.05  0.1  1.0
  H  H23  1  0.95  0.55  0.17  1.0
  H  H24  1  0.78  0.56  0.32  1.0
  H  H25  1  0.78  0.04  0.38  1.0
  H  H26  1  0.34  0.16  0.38  1.0
  H  H27  1  0.22  0.44  0.32  1.0
  H  H28  1  0.16  0.8  0.97  1.0
  H  H29  1  0.84  0.4  0.97  1.0
  H  H30  1  0.4  0.8  0.97  1.0
  H  H31  1  0.16  0.8  0.9  1.0
  H  H32  1  0.95  0.38  0.18  1.0
  H  H33  1  0.05  0.82  0.18  1.0
  H  H34  1  0.61  0.38  0.18  1.0
  H  H35  1  0.95  0.22  0.12  1.0
  C  C36  1  0.68  0.16  0.16  1.0
  C  C37  1  0.88  0.44  0.22  1.0
  C  C38  1  0.88  0.16  0.16  1.0
  C  C39  1  0.68  0.44  0.22  1.0
  C  C40  1  0.23  0.24  0.13  1.0
  C  C41  1  0.77  0.96  0.13  1.0
  C  C42  1  0.33  0.24  0.13  1.0
  C  C43  1  0.23  0.36  0.06  1.0
  Br  Br44  1  0.78  0.53  0.51  1.0
  Br  Br45  1  0.22  0.66  0.51  1.0
  Br  Br46  1  0.78  0.99  0.17  1.0
  Br  Br47  1  0.78  0.61  0.24  1.0
  Br  Br48  1  0.87  0.84  0.35  1.0
  Br  Br49  1  0.69  0.76  0.42  1.0
  Br  Br50  1  0.69  0.84  0.35  1.0
  Br  Br51  1  0.42  0.16  0.35  1.0
  N  N52  1  0.36  0.58  0.4  1.0
  N  N53  1  0.2  0.02  0.47  1.0
  N  N54  1  0.2  0.58  0.4  1.0
  N  N55  1  0.36  0.02  0.47  1.0
  N  N56  1  0.5  0.8  0.9  1.0
  N  N57  1  0.06  0.8  0.96  1.0
  N  N58  1  0.06  0.8  0.9  1.0
  N  N59  1  0.06  0.2  0.9  1.0

data_ZnH8C2(BrN)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.2
_cell_length_b   9.87
_cell_length_c   11.34
_cell_angle_alpha   115.78
_cell_angle_beta   108.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C2(BrN)2
_chemical_formula_sum   'Zn4 H32 C8 Br8 N8'
_cell_volume   678.83
_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
  Zn  Zn0  1  0.0  0.07  0.07  1.0
  Zn  Zn1  1  0.44  0.51  0.51  1.0
  Zn  Zn2  1  0.48  0.47  0.72  1.0
  Zn  Zn3  1  0.57  0.53  0.88  1.0
  H  H4  1  0.08  0.89  0.34  1.0
  H  H5  1  0.1  0.15  0.2  1.0
  H  H6  1  0.12  0.63  0.37  1.0
  H  H7  1  0.16  0.08  0.01  1.0
  H  H8  1  0.22  0.1  0.54  1.0
  H  H9  1  0.26  0.6  0.64  1.0
  H  H10  1  0.26  0.07  0.52  1.0
  H  H11  1  0.27  0.17  0.39  1.0
  H  H12  1  0.27  0.95  0.67  1.0
  H  H13  1  0.3  0.68  0.21  1.0
  H  H14  1  0.34  0.67  0.39  1.0
  H  H15  1  0.35  0.11  0.39  1.0
  H  H16  1  0.4  0.57  0.37  1.0
  H  H17  1  0.43  0.23  0.61  1.0
  H  H18  1  0.44  0.02  0.9  1.0
  H  H19  1  0.45  0.5  0.55  1.0
  H  H20  1  0.54  0.87  0.58  1.0
  H  H21  1  0.56  0.13  0.53  1.0
  H  H22  1  0.6  0.21  0.76  1.0
  H  H23  1  0.64  0.8  0.6  1.0
  H  H24  1  0.64  0.74  0.54  1.0
  H  H25  1  0.7  0.93  0.81  1.0
  H  H26  1  0.76  0.9  0.22  1.0
  H  H27  1  0.77  0.35  0.23  1.0
  H  H28  1  0.77  0.58  0.95  1.0
  H  H29  1  0.77  0.13  0.96  1.0
  H  H30  1  0.78  0.82  0.97  1.0
  H  H31  1  0.79  0.54  0.1  1.0
  H  H32  1  0.82  0.04  0.2  1.0
  H  H33  1  0.88  0.12  0.79  1.0
  H  H34  1  0.9  0.14  0.81  1.0
  H  H35  1  0.95  0.56  0.11  1.0
  C  C36  1  0.01  0.9  0.14  1.0
  C  C37  1  0.13  0.83  0.19  1.0
  C  C38  1  0.19  0.36  0.32  1.0
  C  C39  1  0.28  0.28  0.44  1.0
  C  C40  1  0.48  0.48  0.64  1.0
  C  C41  1  0.56  0.35  0.79  1.0
  C  C42  1  0.76  0.55  0.98  1.0
  C  C43  1  0.92  0.8  0.05  1.0
  Br  Br44  1  0.06  0.73  0.49  1.0
  Br  Br45  1  0.15  0.66  0.51  1.0
  Br  Br46  1  0.21  0.39  0.39  1.0
  Br  Br47  1  0.44  0.29  0.96  1.0
  Br  Br48  1  0.73  0.93  0.09  1.0
  Br  Br49  1  0.76  0.73  0.27  1.0
  Br  Br50  1  0.83  0.46  0.07  1.0
  Br  Br51  1  0.98  0.49  0.33  1.0
  N  N52  1  0.14  0.84  0.04  1.0
  N  N53  1  0.23  0.04  0.63  1.0
  N  N54  1  0.3  0.4  0.2  1.0
  N  N55  1  0.38  0.2  0.78  1.0
  N  N56  1  0.66  0.11  0.13  1.0
  N  N57  1  0.74  0.91  0.7  1.0
  N  N58  1  0.75  0.84  0.64  1.0
  N  N59  1  0.82  0.27  0.28  1.0

Zn Zn Zn Zn H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H C C C C C C C C Br Br Br Br Br Br Br Br N N N N N N N N
Zn Zn Zn Zn H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H C C C C C C C C Br Br Br Br Br Br Br Br N N N N N N N N 0 36 o o o 0 1 o o o 0 25 o o o 1 39 o o o 1 34 o o o 1 37 o o o 2 20 - o o 2 15 - - - 2 33 o - o 3 22 o o o 3 25 o o o 4 17 o o o 4 50 o o o 4 48 o o o 4 49 o o o 5 43 o o o 5 7 o o o 6 42 o o o 6 51 o o o 7 27 o o o 7 32 - o o 7 52 o o o 8 51 o o o 8 26 o o o 8 44 o o o 9 16 o o o 9 54 o o o 9 45 o o o 9 33 o o o 9 55 o + o 9 10 o o o 9 15 o o o 10 52 o o o 11 53 o + o 11 48 - o o 12 14 o o o 12 33 + o + 13 17 o o + 13 43 o o + 14 33 + o + 16 57 o o - 16 33 o o o 17 30 o o - 18 35 o o o 18 29 o o - 19 28 o o - 21 47 o o o 21 24 o o o 22 25 o o o 22 36 o o o 23 37 o o o 23 32 o o o 23 54 + o o 24 47 o o o 24 44 o o o 25 36 o o o 25 50 o - o 26 51 o o o 26 55 o o o 27 32 - o o 27 52 o o o 28 31 o o o 28 58 o o o 29 32 o o + 30 56 o o o 32 37 o o o 34 39 o o o 35 38 o o o 37 54 + o o 40 43 o o o 40 42 o o o 40 59 o o - 41 46 o o o 41 56 o o - 42 59 o o - 43 59 o o - 45 54 o o o 49 50 o o o 51 55 o o o 52 54 o o o 53 55 o o o 57 58 o o o 