data_ZnH6C10(N4O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   12.18
_cell_angle_alpha   93.35
_cell_angle_beta   93.35
_cell_angle_gamma   61.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnH6C10(N4O)2
_chemical_formula_sum   'Zn2 H12 C20 N16 O4'
_cell_volume   610.94
_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  0.27  0.83  0.04  1.0
  Zn  Zn1  1  0.86  0.17  0.12  1.0
  H  H2  1  0.75  0.46  0.37  1.0
  H  H3  1  0.8  0.46  0.71  1.0
  H  H4  1  0.38  0.54  0.78  1.0
  H  H5  1  0.34  0.54  0.45  1.0
  H  H6  1  0.5  0.98  0.73  1.0
  H  H7  1  0.05  0.98  0.35  1.0
  H  H8  1  0.64  0.02  0.43  1.0
  H  H9  1  0.08  0.02  0.8  1.0
  H  H10  1  0.8  0.79  0.26  1.0
  H  H11  1  0.74  0.79  0.82  1.0
  H  H12  1  0.33  0.21  0.9  1.0
  H  H13  1  0.39  0.21  0.33  1.0
  C  C14  1  0.26  0.29  0.03  1.0
  C  C15  1  0.29  0.29  0.04  1.0
  C  C16  1  0.88  0.71  0.12  1.0
  C  C17  1  0.84  0.71  0.11  1.0
  C  C18  1  0.88  0.6  0.06  1.0
  C  C19  1  0.67  0.6  0.02  1.0
  C  C20  1  0.26  0.4  0.09  1.0
  C  C21  1  0.46  0.4  0.14  1.0
  C  C22  1  0.71  0.32  0.23  1.0
  C  C23  1  0.83  0.32  0.85  1.0
  C  C24  1  0.42  0.68  0.93  1.0
  C  C25  1  0.3  0.68  0.3  1.0
  C  C26  1  0.96  0.7  0.09  1.0
  C  C27  1  0.76  0.7  0.14  1.0
  C  C28  1  0.17  0.3  0.06  1.0
  C  C29  1  0.38  0.3  0.02  1.0
  C  C30  1  0.99  0.3  0.11  1.0
  C  C31  1  0.73  0.3  0.12  1.0
  C  C32  1  0.15  0.7  0.04  1.0
  C  C33  1  0.4  0.7  0.03  1.0
  N  N34  1  0.77  0.76  0.85  1.0
  N  N35  1  0.78  0.76  0.23  1.0
  N  N36  1  0.36  0.24  0.3  1.0
  N  N37  1  0.36  0.24  0.93  1.0
  N  N38  1  0.55  0.26  0.91  1.0
  N  N39  1  0.99  0.26  0.17  1.0
  N  N40  1  0.58  0.74  0.25  1.0
  N  N41  1  0.14  0.74  0.98  1.0
  N  N42  1  0.97  0.13  0.05  1.0
  N  N43  1  0.75  0.13  0.18  1.0
  N  N44  1  0.16  0.87  0.1  1.0
  N  N45  1  0.39  0.87  0.98  1.0
  N  N46  1  0.31  0.03  0.02  1.0
  N  N47  1  0.41  0.03  0.21  1.0
  N  N48  1  0.82  0.97  0.13  1.0
  N  N49  1  0.73  0.97  0.94  1.0
  O  O50  1  0.27  0.91  0.04  1.0
  O  O51  1  0.86  0.09  0.12  1.0
  O  O52  1  0.27  0.53  0.04  1.0
  O  O53  1  0.86  0.47  0.12  1.0

data_ZnH6C10(N4O)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.55
_cell_length_b   7.55
_cell_length_c   12.18
_cell_angle_alpha   86.65
_cell_angle_beta   86.65
_cell_angle_gamma   61.78
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZnH6C10(N4O)2
_chemical_formula_sum   'Zn2 H12 C20 N16 O4'
_cell_volume   610.94
_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  0.29  0.17  0.96  1.0
  H  H1  2  0.07  0.02  0.65  1.0
  H  H2  2  0.18  0.79  0.26  1.0
  H  H3  2  0.18  0.46  0.71  1.0
  H  H4  2  0.23  0.46  0.37  1.0
  H  H5  2  0.24  0.79  0.82  1.0
  H  H6  2  0.48  0.98  0.73  1.0
  C  C7  2  0.1  0.6  0.06  1.0
  C  C8  2  0.15  0.32  0.85  1.0
  C  C9  2  0.16  0.3  0.96  1.0
  C  C10  2  0.19  0.7  0.94  1.0
  C  C11  2  0.27  0.32  0.23  1.0
  C  C12  2  0.28  0.71  0.97  1.0
  C  C13  2  0.31  0.71  0.96  1.0
  C  C14  2  0.31  0.6  0.02  1.0
  C  C15  2  0.4  0.7  0.98  1.0
  C  C16  2  0.42  0.3  0.97  1.0
  N  N17  2  0.01  0.74  0.83  1.0
  N  N18  2  0.16  0.97  0.13  1.0
  N  N19  2  0.18  0.13  0.9  1.0
  N  N20  2  0.2  0.76  0.23  1.0
  N  N21  2  0.21  0.76  0.85  1.0
  N  N22  2  0.25  0.97  0.94  1.0
  N  N23  2  0.4  0.13  0.02  1.0
  N  N24  2  0.43  0.26  0.91  1.0
  O  O25  2  0.29  0.09  0.96  1.0
  O  O26  2  0.29  0.47  0.96  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 N N N N N N N N N N N N N N N N O O O O