data_CoNiH8(C7N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.97
_cell_length_b   8.97
_cell_length_c   11.48
_cell_angle_alpha   90.77
_cell_angle_beta   90.77
_cell_angle_gamma   137.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH8(C7N3)2
_chemical_formula_sum   'Co2 Ni2 H16 C28 N12'
_cell_volume   627.02
_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
  Co  Co0  1  0.95  0.26  0.61  1.0
  Co  Co1  1  0.16  0.74  0.87  1.0
  Ni  Ni2  1  0.79  0.0  0.74  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  H  H4  1  0.59  0.77  0.1  1.0
  H  H5  1  0.31  0.77  0.12  1.0
  H  H6  1  0.52  0.23  0.38  1.0
  H  H7  1  0.81  0.23  0.36  1.0
  H  H8  1  0.71  0.57  0.4  1.0
  H  H9  1  0.19  0.57  0.81  1.0
  H  H10  1  0.41  0.43  0.07  1.0
  H  H11  1  0.92  0.43  0.67  1.0
  H  H12  1  0.58  0.26  0.91  1.0
  H  H13  1  0.33  0.26  0.3  1.0
  H  H14  1  0.54  0.74  0.56  1.0
  H  H15  1  0.79  0.74  0.17  1.0
  H  H16  1  0.29  0.3  0.16  1.0
  H  H17  1  0.62  0.3  0.06  1.0
  H  H18  1  0.83  0.7  0.32  1.0
  H  H19  1  0.5  0.7  0.42  1.0
  C  C20  1  0.57  1.0  0.99  1.0
  C  C21  1  0.34  1.0  0.22  1.0
  C  C22  1  0.55  0.0  0.49  1.0
  C  C23  1  0.78  0.0  0.25  1.0
  C  C24  1  0.98  0.79  0.37  1.0
  C  C25  1  0.92  0.79  0.84  1.0
  C  C26  1  0.13  0.21  0.1  1.0
  C  C27  1  0.19  0.21  0.64  1.0
  C  C28  1  0.17  0.68  0.09  1.0
  C  C29  1  0.74  0.68  0.13  1.0
  C  C30  1  0.95  0.32  0.39  1.0
  C  C31  1  0.38  0.32  0.35  1.0
  C  C32  1  0.65  0.41  0.37  1.0
  C  C33  1  0.26  0.41  0.84  1.0
  C  C34  1  0.47  0.59  0.11  1.0
  C  C35  1  0.86  0.59  0.63  1.0
  C  C36  1  0.92  0.3  0.95  1.0
  C  C37  1  0.98  0.3  0.26  1.0
  C  C38  1  0.19  0.7  0.52  1.0
  C  C39  1  0.13  0.7  0.22  1.0
  C  C40  1  0.14  0.23  0.45  1.0
  C  C41  1  0.76  0.23  0.76  1.0
  C  C42  1  0.97  0.77  0.03  1.0
  C  C43  1  0.36  0.77  0.71  1.0
  C  C44  1  0.82  0.52  0.25  1.0
  C  C45  1  0.08  0.52  0.96  1.0
  C  C46  1  0.29  0.48  0.23  1.0
  C  C47  1  0.04  0.48  0.51  1.0
  N  N48  1  0.02  0.75  0.29  1.0
  N  N49  1  0.88  0.75  0.92  1.0
  N  N50  1  0.09  0.25  0.18  1.0
  N  N51  1  0.23  0.25  0.56  1.0
  N  N52  1  0.39  0.99  0.93  1.0
  N  N53  1  0.51  0.99  0.28  1.0
  N  N54  1  0.72  0.01  0.55  1.0
  N  N55  1  0.6  0.01  0.19  1.0
  N  N56  1  0.03  0.01  0.53  1.0
  N  N57  1  0.87  0.01  0.68  1.0
  N  N58  1  0.08  0.99  0.94  1.0
  N  N59  1  0.24  0.99  0.8  1.0

data_CoNiH8(C7N3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.54
_cell_length_b   8.97
_cell_length_c   11.48
_cell_angle_alpha   89.23
_cell_angle_beta   87.89
_cell_angle_gamma   68.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiH8(C7N3)2
_chemical_formula_sum   'Co2 Ni2 H16 C28 N12'
_cell_volume   627.02
_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
  Co  Co0  1  0.26  0.69  0.39  1.0
  Co  Co1  1  0.74  0.43  0.13  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.79  0.26  1.0
  H  H4  1  0.23  0.3  0.62  1.0
  H  H5  1  0.23  0.58  0.64  1.0
  H  H6  1  0.26  0.07  0.7  1.0
  H  H7  1  0.26  0.31  0.09  1.0
  H  H8  1  0.3  0.32  0.94  1.0
  H  H9  1  0.3  0.99  0.84  1.0
  H  H10  1  0.43  0.49  0.33  1.0
  H  H11  1  0.43  0.98  0.93  1.0
  H  H12  1  0.57  0.14  0.6  1.0
  H  H13  1  0.57  0.62  0.19  1.0
  H  H14  1  0.7  0.13  0.68  1.0
  H  H15  1  0.7  0.8  0.58  1.0
  H  H16  1  0.74  0.05  0.83  1.0
  H  H17  1  0.74  0.8  0.44  1.0
  H  H18  1  0.77  0.54  0.88  1.0
  H  H19  1  0.77  0.82  0.9  1.0
  C  C20  1  0.0  0.55  0.51  1.0
  C  C21  1  0.0  0.78  0.75  1.0
  C  C22  1  0.21  0.93  0.9  1.0
  C  C23  1  0.21  0.99  0.36  1.0
  C  C24  1  0.23  0.53  0.24  1.0
  C  C25  1  0.23  0.92  0.55  1.0
  C  C26  1  0.3  0.63  0.05  1.0
  C  C27  1  0.3  0.69  0.74  1.0
  C  C28  1  0.32  0.06  0.65  1.0
  C  C29  1  0.32  0.63  0.61  1.0
  C  C30  1  0.41  0.24  0.63  1.0
  C  C31  1  0.41  0.85  0.16  1.0
  C  C32  1  0.48  0.56  0.49  1.0
  C  C33  1  0.48  0.81  0.77  1.0
  C  C34  1  0.52  0.3  0.75  1.0
  C  C35  1  0.52  0.56  0.04  1.0
  C  C36  1  0.59  0.27  0.37  1.0
  C  C37  1  0.59  0.88  0.89  1.0
  C  C38  1  0.68  0.05  0.87  1.0
  C  C39  1  0.68  0.48  0.91  1.0
  C  C40  1  0.7  0.43  0.78  1.0
  C  C41  1  0.7  0.49  0.48  1.0
  C  C42  1  0.77  0.2  0.97  1.0
  C  C43  1  0.77  0.58  0.29  1.0
  C  C44  1  0.79  0.13  0.16  1.0
  C  C45  1  0.79  0.19  0.63  1.0
  C  C46  1  1.0  0.34  0.78  1.0
  C  C47  1  1.0  0.57  0.01  1.0
  N  N48  1  0.01  0.6  0.81  1.0
  N  N49  1  0.01  0.72  0.45  1.0
  N  N50  1  0.01  0.02  0.47  1.0
  N  N51  1  0.01  0.86  0.32  1.0
  N  N52  1  0.25  0.84  0.82  1.0
  N  N53  1  0.25  0.98  0.44  1.0
  N  N54  1  0.75  0.13  0.08  1.0
  N  N55  1  0.75  0.28  0.71  1.0
  N  N56  1  0.99  0.09  0.06  1.0
  N  N57  1  0.99  0.25  0.2  1.0
  N  N58  1  0.99  0.4  0.07  1.0
  N  N59  1  0.99  0.52  0.72  1.0

Co Co Ni Ni 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 C C C C C C C C N N N N N N N N N N N N