data_CoH12(C7N2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.01
_cell_length_b   13.01
_cell_length_c   6.96
_cell_angle_alpha   91.79
_cell_angle_beta   91.79
_cell_angle_gamma   36.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH12(C7N2)2
_chemical_formula_sum   'Co2 H24 C28 N8'
_cell_volume   700.76
_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  0.3  0.32  0.74  1.0
  Co  Co1  1  0.19  0.68  0.21  1.0
  H  H2  1  0.84  0.28  0.88  1.0
  H  H3  1  0.77  0.28  0.6  1.0
  H  H4  1  0.65  0.72  0.07  1.0
  H  H5  1  0.72  0.72  0.35  1.0
  H  H6  1  0.1  0.62  0.87  1.0
  H  H7  1  0.28  0.62  0.56  1.0
  H  H8  1  0.39  0.38  0.08  1.0
  H  H9  1  0.21  0.38  0.39  1.0
  H  H10  1  0.63  0.34  0.73  1.0
  H  H11  1  0.75  0.34  0.69  1.0
  H  H12  1  0.86  0.66  0.22  1.0
  H  H13  1  0.74  0.66  0.26  1.0
  H  H14  1  0.2  0.44  0.91  1.0
  H  H15  1  0.18  0.44  0.52  1.0
  H  H16  1  0.29  0.56  0.04  1.0
  H  H17  1  0.31  0.56  0.43  1.0
  H  H18  1  0.63  0.01  0.88  1.0
  H  H19  1  0.74  0.01  0.55  1.0
  H  H20  1  0.86  0.99  0.07  1.0
  H  H21  1  0.75  0.99  0.41  1.0
  H  H22  1  0.18  0.94  0.05  1.0
  H  H23  1  0.19  0.94  0.37  1.0
  H  H24  1  0.31  0.06  0.9  1.0
  H  H25  1  0.3  0.06  0.58  1.0
  C  C26  1  0.73  0.82  0.9  1.0
  C  C27  1  0.87  0.82  0.57  1.0
  C  C28  1  0.76  0.18  0.05  1.0
  C  C29  1  0.62  0.18  0.38  1.0
  C  C30  1  0.75  0.97  0.83  1.0
  C  C31  1  0.63  0.97  0.59  1.0
  C  C32  1  0.74  0.03  0.12  1.0
  C  C33  1  0.86  0.03  0.36  1.0
  C  C34  1  0.46  0.65  0.84  1.0
  C  C35  1  0.92  0.65  0.59  1.0
  C  C36  1  0.03  0.35  0.11  1.0
  C  C37  1  0.57  0.35  0.36  1.0
  C  C38  1  0.91  0.89  0.87  1.0
  C  C39  1  0.47  0.89  0.55  1.0
  C  C40  1  0.58  0.11  0.08  1.0
  C  C41  1  0.02  0.11  0.4  1.0
  C  C42  1  0.25  0.35  0.77  1.0
  C  C43  1  0.12  0.35  0.66  1.0
  C  C44  1  0.24  0.65  0.18  1.0
  C  C45  1  0.37  0.65  0.29  1.0
  C  C46  1  0.55  0.79  0.51  1.0
  C  C47  1  0.82  0.79  0.92  1.0
  C  C48  1  0.94  0.21  0.44  1.0
  C  C49  1  0.67  0.21  0.04  1.0
  C  C50  1  0.64  0.48  0.88  1.0
  C  C51  1  0.74  0.48  0.54  1.0
  C  C52  1  0.85  0.52  0.07  1.0
  C  C53  1  0.75  0.52  0.41  1.0
  N  N54  1  0.55  0.26  0.54  1.0
  N  N55  1  0.05  0.26  0.94  1.0
  N  N56  1  0.94  0.74  0.41  1.0
  N  N57  1  0.44  0.74  0.01  1.0
  N  N58  1  0.49  0.73  0.24  1.0
  N  N59  1  0.89  0.73  0.19  1.0
  N  N60  1  0.0  0.27  0.71  1.0
  N  N61  1  0.6  0.27  0.76  1.0

data_CoH12(C7N2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.96
_cell_length_b   8.16
_cell_length_c   13.01
_cell_angle_alpha   108.26
_cell_angle_beta   91.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoH12(C7N2)2
_chemical_formula_sum   'Co2 H24 C28 N8'
_cell_volume   700.76
_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
  Co  Co0  2  0.24  0.68  0.13  1.0
  H  H1  2  0.07  0.56  0.1  1.0
  H  H2  2  0.08  0.94  0.38  1.0
  H  H3  2  0.09  0.99  0.1  1.0
  H  H4  2  0.1  0.72  0.62  1.0
  H  H5  2  0.11  0.38  0.03  1.0
  H  H6  2  0.24  0.66  0.78  1.0
  H  H7  2  0.28  0.66  0.66  1.0
  H  H8  2  0.38  0.72  0.69  1.0
  H  H9  2  0.4  0.94  0.39  1.0
  H  H10  2  0.42  0.38  0.84  1.0
  H  H11  2  0.43  0.99  0.99  1.0
  H  H12  2  0.46  0.56  0.13  1.0
  C  C13  2  0.06  0.21  0.13  1.0
  C  C14  2  0.07  0.18  0.19  1.0
  C  C15  2  0.09  0.52  0.62  1.0
  C  C16  2  0.1  0.11  0.95  1.0
  C  C17  2  0.14  0.35  0.64  1.0
  C  C18  2  0.14  0.03  0.02  1.0
  C  C19  2  0.21  0.65  0.15  1.0
  C  C20  2  0.32  0.65  0.27  1.0
  C  C21  2  0.38  0.03  0.14  1.0
  C  C22  2  0.39  0.35  0.18  1.0
  C  C23  2  0.4  0.18  0.05  1.0
  C  C24  2  0.42  0.11  0.39  1.0
  C  C25  2  0.43  0.52  0.52  1.0
  C  C26  2  0.46  0.21  0.4  1.0
  N  N27  2  0.04  0.74  0.43  1.0
  N  N28  2  0.21  0.73  0.87  1.0
  N  N29  2  0.26  0.73  0.47  1.0
  N  N30  2  0.44  0.74  0.93  1.0

Co Co H H H H H H H H 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
Co Co H H H H H H H H 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 0 42 o o o 0 14 o o o 0 43 o o o 1 44 o o o 1 16 o o o 1 45 o o o 2 11 o o o 2 50 o o o 3 11 o o o 4 52 o o o 4 13 o o o 5 13 o o o 6 14 o o o 7 17 o o o 8 16 o o o 9 15 o o o 10 61 o o o 11 50 o o o 12 59 o o o 13 52 o o o 14 42 o o o 15 35 - o o 15 43 o o o 16 44 o o o 17 37 o o o 17 45 o o o 18 30 o - o 18 31 o - o 18 40 o o + 19 21 o - o 19 31 o - o 19 33 o o o 20 32 o + o 20 33 o + o 20 38 o o - 21 31 o o o 21 33 o + o 22 57 o o o 22 23 o o o 23 41 o + o 24 25 o o o 24 55 o o o 25 39 o - o 26 47 o o o 27 56 o o o 27 31 o o o 27 35 o o o 28 49 o o o 29 54 o o o 29 33 o o o 29 37 o o o 30 38 o o o 30 31 o o o 32 40 o o o 32 33 o o o 34 50 o o o 34 57 o o + 35 56 o o o 36 55 o o - 36 52 - o o 37 54 o o o 39 46 o o o 41 48 - o o 42 43 o o o 44 45 o o o 51 53 o o o 55 60 o o o 57 58 o o o 