data_ZnH8C6N2(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   10.38
_cell_length_c   9.97
_cell_angle_alpha   90.0
_cell_angle_beta   102.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C6N2(ClO)2
_chemical_formula_sum   'Zn2 H16 C12 N4 Cl4 O4'
_cell_volume   493.27
_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  0.58  0.92  0.67  1.0
  Zn  Zn1  1  0.51  0.46  0.54  1.0
  H  H2  1  0.81  0.77  0.62  1.0
  H  H3  1  0.74  0.61  0.5  1.0
  H  H4  1  0.9  0.32  0.57  1.0
  H  H5  1  0.83  0.06  0.44  1.0
  H  H6  1  0.26  0.73  0.64  1.0
  H  H7  1  0.19  0.65  0.52  1.0
  H  H8  1  0.52  0.05  0.24  1.0
  H  H9  1  0.46  0.33  0.11  1.0
  H  H10  1  0.89  0.29  0.39  1.0
  H  H11  1  0.96  0.09  0.52  1.0
  H  H12  1  0.27  0.4  0.56  1.0
  H  H13  1  0.33  0.97  0.69  1.0
  H  H14  1  0.79  0.57  0.46  1.0
  H  H15  1  0.86  0.81  0.59  1.0
  H  H16  1  0.76  0.33  0.28  1.0
  H  H17  1  0.83  0.05  0.41  1.0
  C  C18  1  0.17  0.74  0.54  1.0
  C  C19  1  0.1  0.63  0.41  1.0
  C  C20  1  0.81  0.61  0.84  1.0
  C  C21  1  0.75  0.77  0.71  1.0
  C  C22  1  0.02  0.24  0.9  1.0
  C  C23  1  0.09  0.14  0.02  1.0
  C  C24  1  0.67  0.39  0.48  1.0
  C  C25  1  0.73  0.98  0.61  1.0
  C  C26  1  0.42  0.46  0.42  1.0
  C  C27  1  0.49  0.91  0.55  1.0
  C  C28  1  0.17  0.61  0.74  1.0
  C  C29  1  0.24  0.77  0.87  1.0
  N  N30  1  0.57  0.95  0.61  1.0
  N  N31  1  0.51  0.43  0.48  1.0
  N  N32  1  0.31  0.36  0.27  1.0
  N  N33  1  0.38  0.02  0.4  1.0
  Cl  Cl34  1  0.28  0.03  0.33  1.0
  Cl  Cl35  1  0.21  0.35  0.2  1.0
  Cl  Cl36  1  0.56  0.34  0.25  1.0
  Cl  Cl37  1  0.5  0.04  0.12  1.0
  O  O38  1  0.64  0.77  0.07  1.0
  O  O39  1  0.57  0.61  0.94  1.0
  O  O40  1  0.45  0.55  0.7  1.0
  O  O41  1  0.51  0.83  0.83  1.0

data_ZnH8C6N2(ClO)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   9.97
_cell_length_c   10.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH8C6N2(ClO)2
_chemical_formula_sum   'Zn2 H16 C12 N4 Cl4 O4'
_cell_volume   493.27
_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  0.42  0.33  0.08  1.0
  Zn  Zn1  1  0.49  0.46  0.54  1.0
  H  H2  1  0.04  0.48  0.91  1.0
  H  H3  1  0.1  0.43  0.68  1.0
  H  H4  1  0.11  0.61  0.71  1.0
  H  H5  1  0.14  0.41  0.19  1.0
  H  H6  1  0.17  0.59  0.95  1.0
  H  H7  1  0.17  0.56  0.94  1.0
  H  H8  1  0.19  0.38  0.23  1.0
  H  H9  1  0.21  0.54  0.43  1.0
  H  H10  1  0.24  0.72  0.67  1.0
  H  H11  1  0.26  0.5  0.39  1.0
  H  H12  1  0.48  0.76  0.95  1.0
  H  H13  1  0.54  0.89  0.67  1.0
  H  H14  1  0.67  0.31  0.03  1.0
  H  H15  1  0.73  0.44  0.6  1.0
  H  H16  1  0.74  0.36  0.27  1.0
  H  H17  1  0.81  0.48  0.35  1.0
  C  C18  1  0.19  0.16  0.39  1.0
  C  C19  1  0.25  0.29  0.23  1.0
  C  C20  1  0.27  0.39  0.02  1.0
  C  C21  1  0.33  0.52  0.61  1.0
  C  C22  1  0.51  0.45  0.09  1.0
  C  C23  1  0.58  0.58  0.54  1.0
  C  C24  1  0.76  0.13  0.23  1.0
  C  C25  1  0.83  0.26  0.39  1.0
  C  C26  1  0.83  0.46  0.26  1.0
  C  C27  1  0.9  0.59  0.37  1.0
  C  C28  1  0.91  0.98  0.86  1.0
  C  C29  1  0.98  0.1  0.76  1.0
  N  N30  1  0.43  0.39  0.05  1.0
  N  N31  1  0.49  0.52  0.57  1.0
  N  N32  1  0.62  0.6  0.98  1.0
  N  N33  1  0.69  0.73  0.64  1.0
  Cl  Cl34  1  0.44  0.75  0.66  1.0
  Cl  Cl35  1  0.5  0.88  0.96  1.0
  Cl  Cl36  1  0.72  0.67  0.97  1.0
  Cl  Cl37  1  0.79  0.8  0.65  1.0
  O  O38  1  0.36  0.93  0.23  1.0
  O  O39  1  0.43  0.06  0.39  1.0
  O  O40  1  0.49  0.17  0.17  1.0
  O  O41  1  0.55  0.3  0.45  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 N N N N Cl Cl Cl Cl 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 N N N N Cl Cl Cl Cl O O O O 0 30 o o o 0 13 o o o 1 31 o o o 1 12 o o o 2 15 o o o 2 21 o o o 3 14 o o o 4 24 o o o 5 17 o o o 5 11 o o o 6 18 o o o 6 28 o o o 7 19 o o o 7 18 o o o 8 37 o o o 9 36 o o o 10 16 o o o 12 31 o o o 13 30 o o o 16 36 o o o 20 39 o o o 21 41 o o o 22 23 o o + 24 31 o o o 25 30 o o o 26 31 o o o 27 30 o o o 28 40 o o o 29 41 o o o 29 38 o o + 32 35 o o o 33 34 o o o 38 39 o o - 38 41 o o - 