data_ZnH6C11(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   9.16
_cell_length_c   17.33
_cell_angle_alpha   83.74
_cell_angle_beta   81.4
_cell_angle_gamma   80.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C11(NO2)2
_chemical_formula_sum   'Zn2 H12 C22 N4 O8'
_cell_volume   1141.31
_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  0.48  0.71  0.54  1.0
  Zn  Zn1  1  0.08  0.71  0.35  1.0
  H  H2  1  0.83  0.89  0.44  1.0
  H  H3  1  0.51  0.09  0.43  1.0
  H  H4  1  0.44  0.88  0.34  1.0
  H  H5  1  0.12  0.54  0.54  1.0
  H  H6  1  0.34  0.45  0.41  1.0
  H  H7  1  0.33  0.89  0.18  1.0
  H  H8  1  0.91  0.59  0.87  1.0
  H  H9  1  0.07  0.4  0.33  1.0
  H  H10  1  0.98  0.29  0.8  1.0
  H  H11  1  0.95  0.85  0.03  1.0
  H  H12  1  0.03  0.69  0.91  1.0
  H  H13  1  0.07  0.31  0.45  1.0
  C  C14  1  0.48  0.78  0.49  1.0
  C  C15  1  0.12  0.96  0.83  1.0
  C  C16  1  0.13  0.13  0.47  1.0
  C  C17  1  0.9  0.61  0.5  1.0
  C  C18  1  0.09  0.59  0.29  1.0
  C  C19  1  0.93  0.01  0.75  1.0
  C  C20  1  0.9  0.07  0.71  1.0
  C  C21  1  0.17  0.76  0.36  1.0
  C  C22  1  0.81  0.18  0.32  1.0
  C  C23  1  0.38  0.1  0.7  1.0
  C  C24  1  0.25  0.68  0.76  1.0
  C  C25  1  0.11  0.61  0.4  1.0
  C  C26  1  0.77  0.74  0.31  1.0
  C  C27  1  0.47  0.63  0.59  1.0
  C  C28  1  0.54  0.79  0.46  1.0
  C  C29  1  0.99  0.17  0.46  1.0
  C  C30  1  0.59  0.22  0.43  1.0
  C  C31  1  0.82  1.0  0.02  1.0
  C  C32  1  0.58  0.07  0.87  1.0
  C  C33  1  0.88  0.79  0.5  1.0
  C  C34  1  0.36  0.71  0.44  1.0
  C  C35  1  0.02  0.23  0.08  1.0
  N  N36  1  0.17  0.68  0.38  1.0
  N  N37  1  0.39  0.74  0.51  1.0
  N  N38  1  0.4  0.04  0.01  1.0
  N  N39  1  0.61  0.39  0.05  1.0
  O  O40  1  0.22  0.59  0.57  1.0
  O  O41  1  0.36  0.79  0.35  1.0
  O  O42  1  0.35  0.85  0.42  1.0
  O  O43  1  0.23  0.54  0.43  1.0
  O  O44  1  0.72  0.43  0.53  1.0
  O  O45  1  0.73  0.81  0.37  1.0
  O  O46  1  0.88  0.74  0.36  1.0
  O  O47  1  0.6  0.58  0.51  1.0

data_ZnH6C11(NO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.41
_cell_length_b   9.16
_cell_length_c   17.33
_cell_angle_alpha   83.74
_cell_angle_beta   81.4
_cell_angle_gamma   80.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C11(NO2)2
_chemical_formula_sum   'Zn2 H12 C22 N4 O8'
_cell_volume   1141.31
_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  0.08  0.71  0.35  1.0
  Zn  Zn1  1  0.48  0.71  0.54  1.0
  H  H2  1  0.03  0.69  0.91  1.0
  H  H3  1  0.07  0.31  0.45  1.0
  H  H4  1  0.07  0.4  0.33  1.0
  H  H5  1  0.12  0.54  0.54  1.0
  H  H6  1  0.33  0.89  0.18  1.0
  H  H7  1  0.34  0.45  0.41  1.0
  H  H8  1  0.44  0.88  0.34  1.0
  H  H9  1  0.51  0.09  0.43  1.0
  H  H10  1  0.83  0.89  0.44  1.0
  H  H11  1  0.91  0.59  0.87  1.0
  H  H12  1  0.95  0.85  0.03  1.0
  H  H13  1  0.98  0.29  0.8  1.0
  C  C14  1  0.02  0.23  0.08  1.0
  C  C15  1  0.09  0.59  0.29  1.0
  C  C16  1  0.11  0.61  0.4  1.0
  C  C17  1  0.12  0.96  0.83  1.0
  C  C18  1  0.13  0.13  0.47  1.0
  C  C19  1  0.17  0.76  0.36  1.0
  C  C20  1  0.25  0.68  0.76  1.0
  C  C21  1  0.36  0.71  0.44  1.0
  C  C22  1  0.38  0.1  0.7  1.0
  C  C23  1  0.47  0.63  0.59  1.0
  C  C24  1  0.48  0.78  0.49  1.0
  C  C25  1  0.54  0.79  0.46  1.0
  C  C26  1  0.58  0.07  0.87  1.0
  C  C27  1  0.59  0.22  0.43  1.0
  C  C28  1  0.77  0.74  0.31  1.0
  C  C29  1  0.81  0.18  0.32  1.0
  C  C30  1  0.82  1.0  0.02  1.0
  C  C31  1  0.88  0.79  0.5  1.0
  C  C32  1  0.9  0.61  0.5  1.0
  C  C33  1  0.9  0.07  0.71  1.0
  C  C34  1  0.93  0.01  0.75  1.0
  C  C35  1  0.99  0.17  0.46  1.0
  N  N36  1  0.17  0.68  0.38  1.0
  N  N37  1  0.39  0.74  0.51  1.0
  N  N38  1  0.4  0.04  0.01  1.0
  N  N39  1  0.61  0.39  0.05  1.0
  O  O40  1  0.22  0.59  0.57  1.0
  O  O41  1  0.23  0.54  0.43  1.0
  O  O42  1  0.35  0.85  0.42  1.0
  O  O43  1  0.36  0.79  0.35  1.0
  O  O44  1  0.6  0.58  0.51  1.0
  O  O45  1  0.72  0.43  0.53  1.0
  O  O46  1  0.73  0.81  0.37  1.0
  O  O47  1  0.88  0.74  0.36  1.0

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