data_ZnH16C18S2(NO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.15
_cell_length_b   7.64
_cell_length_c   10.57
_cell_angle_alpha   106.07
_cell_angle_beta   95.63
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH16C18S2(NO2)4
_chemical_formula_sum   'Zn1 H16 C18 S2 N4 O8'
_cell_volume   513.79
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  H  H1  1  0.33  0.57  0.85  1.0
  H  H2  1  0.3  0.21  0.09  1.0
  H  H3  1  0.59  0.62  0.31  1.0
  H  H4  1  0.05  0.16  0.63  1.0
  H  H5  1  0.97  0.34  0.2  1.0
  H  H6  1  0.66  0.44  0.74  1.0
  H  H7  1  0.09  0.94  0.67  1.0
  H  H8  1  0.55  0.84  0.27  1.0
  H  H9  1  0.26  0.55  0.38  1.0
  H  H10  1  0.37  0.23  0.56  1.0
  H  H11  1  0.77  0.58  0.43  1.0
  H  H12  1  0.87  0.2  0.51  1.0
  H  H13  1  0.04  0.06  0.86  1.0
  H  H14  1  0.6  0.71  0.08  1.0
  H  H15  1  0.62  0.21  0.94  1.0
  H  H16  1  0.02  0.57  1.0  1.0
  C  C17  1  0.42  0.33  0.71  1.0
  C  C18  1  0.21  0.45  0.23  1.0
  C  C19  1  0.52  0.33  0.6  1.0
  C  C20  1  0.12  0.45  0.33  1.0
  C  C21  1  0.48  0.56  0.23  1.0
  C  C22  1  0.16  0.22  0.7  1.0
  C  C23  1  0.62  0.46  0.38  1.0
  C  C24  1  0.01  0.32  0.56  1.0
  C  C25  1  0.83  0.17  0.89  1.0
  C  C26  1  0.8  0.61  0.05  1.0
  C  C27  1  0.88  0.94  0.27  1.0
  C  C28  1  0.75  0.84  0.67  1.0
  C  C29  1  0.71  0.04  0.09  1.0
  C  C30  1  0.93  0.74  0.85  1.0
  C  C31  1  0.83  0.65  0.63  1.0
  C  C32  1  0.8  0.13  0.31  1.0
  C  C33  1  0.22  0.67  0.65  1.0
  C  C34  1  0.41  0.11  0.29  1.0
  S  S35  1  0.64  0.13  0.86  1.0
  S  S36  1  0.99  0.64  0.08  1.0
  N  N37  1  0.52  0.77  0.95  1.0
  N  N38  1  0.12  0.01  0.99  1.0
  N  N39  1  0.67  0.76  0.91  1.0
  N  N40  1  0.97  0.02  0.03  1.0
  O  O41  1  0.29  0.56  0.5  1.0
  O  O42  1  0.34  0.22  0.44  1.0
  O  O43  1  0.45  0.47  0.36  1.0
  O  O44  1  0.18  0.31  0.58  1.0
  O  O45  1  0.9  0.71  0.47  1.0
  O  O46  1  0.74  0.07  0.47  1.0
  O  O47  1  0.08  0.35  0.81  1.0
  O  O48  1  0.55  0.43  0.12  1.0

data_ZnH16C18S2(NO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.15
_cell_length_b   7.64
_cell_length_c   10.57
_cell_angle_alpha   106.07
_cell_angle_beta   95.63
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH16C18S2(NO2)4
_chemical_formula_sum   'Zn1 H16 C18 S2 N4 O8'
_cell_volume   513.79
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  H  H1  1  0.02  0.57  1.0  1.0
  H  H2  1  0.04  0.06  0.86  1.0
  H  H3  1  0.05  0.16  0.63  1.0
  H  H4  1  0.09  0.94  0.67  1.0
  H  H5  1  0.26  0.55  0.38  1.0
  H  H6  1  0.3  0.21  0.09  1.0
  H  H7  1  0.33  0.57  0.85  1.0
  H  H8  1  0.37  0.23  0.56  1.0
  H  H9  1  0.55  0.84  0.27  1.0
  H  H10  1  0.59  0.62  0.31  1.0
  H  H11  1  0.6  0.71  0.08  1.0
  H  H12  1  0.62  0.21  0.94  1.0
  H  H13  1  0.66  0.44  0.74  1.0
  H  H14  1  0.77  0.58  0.43  1.0
  H  H15  1  0.87  0.2  0.51  1.0
  H  H16  1  0.97  0.34  0.2  1.0
  C  C17  1  0.01  0.32  0.56  1.0
  C  C18  1  0.12  0.45  0.33  1.0
  C  C19  1  0.16  0.22  0.7  1.0
  C  C20  1  0.21  0.45  0.23  1.0
  C  C21  1  0.22  0.67  0.65  1.0
  C  C22  1  0.41  0.11  0.29  1.0
  C  C23  1  0.42  0.33  0.71  1.0
  C  C24  1  0.48  0.56  0.23  1.0
  C  C25  1  0.52  0.33  0.6  1.0
  C  C26  1  0.62  0.46  0.38  1.0
  C  C27  1  0.71  0.04  0.09  1.0
  C  C28  1  0.75  0.84  0.67  1.0
  C  C29  1  0.8  0.13  0.31  1.0
  C  C30  1  0.8  0.61  0.05  1.0
  C  C31  1  0.83  0.17  0.89  1.0
  C  C32  1  0.83  0.65  0.63  1.0
  C  C33  1  0.88  0.94  0.27  1.0
  C  C34  1  0.93  0.74  0.85  1.0
  S  S35  1  0.64  0.13  0.86  1.0
  S  S36  1  0.99  0.64  0.08  1.0
  N  N37  1  0.12  0.01  0.99  1.0
  N  N38  1  0.52  0.77  0.95  1.0
  N  N39  1  0.67  0.76  0.91  1.0
  N  N40  1  0.97  0.02  0.03  1.0
  O  O41  1  0.08  0.35  0.81  1.0
  O  O42  1  0.18  0.31  0.58  1.0
  O  O43  1  0.29  0.56  0.5  1.0
  O  O44  1  0.34  0.22  0.44  1.0
  O  O45  1  0.45  0.47  0.36  1.0
  O  O46  1  0.55  0.43  0.12  1.0
  O  O47  1  0.74  0.07  0.47  1.0
  O  O48  1  0.9  0.71  0.47  1.0

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 S S N N N N O O O O O O O O