data_ZnH8C10(N3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   10.6
_cell_angle_alpha   90.88
_cell_angle_beta   90.88
_cell_angle_gamma   73.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C10(N3O2)2
_chemical_formula_sum   'Zn2 H16 C20 N12 O8'
_cell_volume   638.05
_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
  Zn  Zn0  1  0.17  0.9  0.95  1.0
  Zn  Zn1  1  0.27  0.1  0.65  1.0
  H  H2  1  0.77  0.36  0.97  1.0
  H  H3  1  0.77  0.36  0.33  1.0
  H  H4  1  0.67  0.64  0.63  1.0
  H  H5  1  0.67  0.64  0.27  1.0
  H  H6  1  0.06  0.39  0.33  1.0
  H  H7  1  0.28  0.39  0.56  1.0
  H  H8  1  0.38  0.61  0.26  1.0
  H  H9  1  0.16  0.61  0.03  1.0
  H  H10  1  0.4  0.72  0.82  1.0
  H  H11  1  0.15  0.72  0.47  1.0
  H  H12  1  0.05  0.28  0.77  1.0
  H  H13  1  0.29  0.28  0.12  1.0
  H  H14  1  0.71  0.47  0.27  1.0
  H  H15  1  0.63  0.47  0.63  1.0
  H  H16  1  0.73  0.53  0.33  1.0
  H  H17  1  0.81  0.53  0.97  1.0
  C  C18  1  0.28  0.42  0.31  1.0
  C  C19  1  0.06  0.42  0.58  1.0
  C  C20  1  0.16  0.58  0.28  1.0
  C  C21  1  0.39  0.58  0.01  1.0
  C  C22  1  0.52  0.9  0.65  1.0
  C  C23  1  0.82  0.9  0.25  1.0
  C  C24  1  0.93  0.1  0.95  1.0
  C  C25  1  0.62  0.1  0.35  1.0
  C  C26  1  0.97  0.46  0.39  1.0
  C  C27  1  0.37  0.46  0.51  1.0
  C  C28  1  0.47  0.54  0.21  1.0
  C  C29  1  0.07  0.54  0.09  1.0
  C  C30  1  0.46  0.11  0.5  1.0
  C  C31  1  0.88  0.11  0.4  1.0
  C  C32  1  0.98  0.89  0.1  1.0
  C  C33  1  0.56  0.89  0.2  1.0
  C  C34  1  0.99  0.08  0.29  1.0
  C  C35  1  0.35  0.08  0.61  1.0
  C  C36  1  0.45  0.92  0.31  1.0
  C  C37  1  0.09  0.92  0.99  1.0
  N  N38  1  0.11  0.57  0.74  1.0
  N  N39  1  0.23  0.57  0.15  1.0
  N  N40  1  0.33  0.43  0.85  1.0
  N  N41  1  0.21  0.43  0.44  1.0
  N  N42  1  0.07  0.93  0.81  1.0
  N  N43  1  0.47  0.93  0.48  1.0
  N  N44  1  0.37  0.07  0.78  1.0
  N  N45  1  0.97  0.07  0.11  1.0
  N  N46  1  0.55  0.6  0.92  1.0
  N  N47  1  0.99  0.6  0.37  1.0
  N  N48  1  0.89  0.4  0.67  1.0
  N  N49  1  0.45  0.4  0.22  1.0
  O  O50  1  0.6  0.5  0.7  1.0
  O  O51  1  0.74  0.5  0.2  1.0
  O  O52  1  0.84  0.5  0.9  1.0
  O  O53  1  0.7  0.5  0.4  1.0
  O  O54  1  0.94  0.88  0.43  1.0
  O  O55  1  0.4  0.88  0.47  1.0
  O  O56  1  0.5  0.12  0.17  1.0
  O  O57  1  0.04  0.12  0.13  1.0

data_ZnH8C10(N3O2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   10.6
_cell_angle_alpha   89.12
_cell_angle_beta   89.12
_cell_angle_gamma   73.95
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnH8C10(N3O2)2
_chemical_formula_sum   'Zn2 H16 C20 N12 O8'
_cell_volume   638.05
_cell_formula_units_Z   2
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
  Zn  Zn0  2  0.45  0.9  0.35  1.0
  H  H1  2  0.01  0.53  0.97  1.0
  H  H2  2  0.05  0.36  0.33  1.0
  H  H3  2  0.05  0.36  0.97  1.0
  H  H4  2  0.09  0.53  0.33  1.0
  H  H5  2  0.32  0.28  0.53  1.0
  H  H6  2  0.34  0.39  0.97  1.0
  H  H7  2  0.43  0.72  0.82  1.0
  H  H8  2  0.44  0.61  0.26  1.0
  C  C9  2  0.1  0.9  0.05  1.0
  C  C10  2  0.16  0.11  0.9  1.0
  C  C11  2  0.2  0.1  0.35  1.0
  C  C12  2  0.25  0.46  0.91  1.0
  C  C13  2  0.26  0.89  0.2  1.0
  C  C14  2  0.27  0.08  0.01  1.0
  C  C15  2  0.33  0.42  0.72  1.0
  C  C16  2  0.35  0.54  0.21  1.0
  C  C17  2  0.37  0.92  0.31  1.0
  C  C18  2  0.44  0.58  0.01  1.0
  N  N19  2  0.17  0.4  0.63  1.0
  N  N20  2  0.25  0.07  0.19  1.0
  N  N21  2  0.27  0.6  0.92  1.0
  N  N22  2  0.35  0.93  0.48  1.0
  N  N23  2  0.39  0.57  0.56  1.0
  N  N24  2  0.49  0.43  0.85  1.0
  O  O25  2  0.02  0.5  0.1  1.0
  O  O26  2  0.12  0.5  0.4  1.0
  O  O27  2  0.22  0.88  0.87  1.0
  O  O28  2  0.32  0.12  0.17  1.0

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