data_CoH24C18(N2O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   8.05
_cell_length_c   9.3
_cell_angle_alpha   95.81
_cell_angle_beta   112.34
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH24C18(N2O)4
_chemical_formula_sum   'Co1 H24 C18 N8 O4'
_cell_volume   503.41
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.58  0.27  0.28  1.0
  H  H2  1  0.29  0.26  0.06  1.0
  H  H3  1  0.91  0.03  0.73  1.0
  H  H4  1  0.96  0.5  0.61  1.0
  H  H5  1  0.86  0.3  0.2  1.0
  H  H6  1  0.01  0.23  0.14  1.0
  H  H7  1  0.27  0.33  0.78  1.0
  H  H8  1  0.6  0.2  0.55  1.0
  H  H9  1  0.32  0.2  0.2  1.0
  H  H10  1  0.55  0.33  0.13  1.0
  H  H11  1  0.66  0.97  0.57  1.0
  H  H12  1  0.21  0.55  0.76  1.0
  H  H13  1  0.5  1.0  0.84  1.0
  H  H14  1  0.36  0.53  0.49  1.0
  H  H15  1  0.95  0.05  0.78  1.0
  H  H16  1  0.91  0.48  0.56  1.0
  H  H17  1  0.45  0.36  0.99  1.0
  H  H18  1  0.42  0.17  0.35  1.0
  H  H19  1  0.5  0.23  0.31  1.0
  H  H20  1  0.36  0.3  0.02  1.0
  H  H21  1  0.87  0.51  0.63  1.0
  H  H22  1  0.99  0.02  0.71  1.0
  H  H23  1  0.89  0.0  0.49  1.0
  H  H24  1  0.98  0.53  0.85  1.0
  C  C25  1  0.3  0.05  1.0  1.0
  C  C26  1  0.57  0.48  0.34  1.0
  C  C27  1  0.75  0.34  0.96  1.0
  C  C28  1  0.11  0.19  0.37  1.0
  C  C29  1  0.98  0.48  0.56  1.0
  C  C30  1  0.88  0.05  0.78  1.0
  C  C31  1  0.25  0.41  0.98  1.0
  C  C32  1  0.61  0.12  0.36  1.0
  C  C33  1  0.69  0.45  0.69  1.0
  C  C34  1  0.18  0.08  0.64  1.0
  C  C35  1  0.42  0.64  0.77  1.0
  C  C36  1  0.45  0.89  0.57  1.0
  C  C37  1  0.86  0.91  0.62  1.0
  C  C38  1  0.01  0.62  0.72  1.0
  C  C39  1  0.2  0.19  0.37  1.0
  C  C40  1  0.66  0.33  0.96  1.0
  C  C41  1  0.68  0.32  0.71  1.0
  C  C42  1  0.18  0.2  0.62  1.0
  N  N43  1  0.61  0.25  0.58  1.0
  N  N44  1  0.25  0.28  0.75  1.0
  N  N45  1  0.16  0.67  0.61  1.0
  N  N46  1  0.71  0.85  0.72  1.0
  N  N47  1  0.15  0.36  0.31  1.0
  N  N48  1  0.72  0.17  0.03  1.0
  N  N49  1  0.58  0.65  0.57  1.0
  N  N50  1  0.28  0.87  0.76  1.0
  O  O51  1  0.64  0.55  0.7  1.0
  O  O52  1  0.22  0.98  0.63  1.0
  O  O53  1  0.66  0.29  0.96  1.0
  O  O54  1  0.2  0.24  0.37  1.0

data_CoH24C18(N2O)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.88
_cell_length_b   8.05
_cell_length_c   9.3
_cell_angle_alpha   95.81
_cell_angle_beta   112.34
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH24C18(N2O)4
_chemical_formula_sum   'Co1 H24 C18 N8 O4'
_cell_volume   503.41
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  H  H1  1  0.01  0.23  0.14  1.0
  H  H2  1  0.21  0.55  0.76  1.0
  H  H3  1  0.27  0.33  0.78  1.0
  H  H4  1  0.29  0.26  0.06  1.0
  H  H5  1  0.32  0.2  0.2  1.0
  H  H6  1  0.36  0.53  0.49  1.0
  H  H7  1  0.36  0.3  0.02  1.0
  H  H8  1  0.42  0.17  0.35  1.0
  H  H9  1  0.45  0.36  0.99  1.0
  H  H10  1  0.5  0.23  0.31  1.0
  H  H11  1  0.5  1.0  0.84  1.0
  H  H12  1  0.55  0.33  0.13  1.0
  H  H13  1  0.58  0.27  0.28  1.0
  H  H14  1  0.6  0.2  0.55  1.0
  H  H15  1  0.66  0.97  0.57  1.0
  H  H16  1  0.86  0.3  0.2  1.0
  H  H17  1  0.87  0.51  0.63  1.0
  H  H18  1  0.89  0.0  0.49  1.0
  H  H19  1  0.91  0.03  0.73  1.0
  H  H20  1  0.91  0.48  0.56  1.0
  H  H21  1  0.95  0.05  0.78  1.0
  H  H22  1  0.96  0.5  0.61  1.0
  H  H23  1  0.98  0.53  0.85  1.0
  H  H24  1  0.99  0.02  0.71  1.0
  C  C25  1  0.01  0.62  0.72  1.0
  C  C26  1  0.11  0.19  0.37  1.0
  C  C27  1  0.18  0.08  0.64  1.0
  C  C28  1  0.18  0.2  0.62  1.0
  C  C29  1  0.2  0.19  0.37  1.0
  C  C30  1  0.25  0.41  0.98  1.0
  C  C31  1  0.3  0.05  1.0  1.0
  C  C32  1  0.42  0.64  0.77  1.0
  C  C33  1  0.45  0.89  0.57  1.0
  C  C34  1  0.57  0.48  0.34  1.0
  C  C35  1  0.61  0.12  0.36  1.0
  C  C36  1  0.66  0.33  0.96  1.0
  C  C37  1  0.68  0.32  0.71  1.0
  C  C38  1  0.69  0.45  0.69  1.0
  C  C39  1  0.75  0.34  0.96  1.0
  C  C40  1  0.86  0.91  0.62  1.0
  C  C41  1  0.88  0.05  0.78  1.0
  C  C42  1  0.98  0.48  0.56  1.0
  N  N43  1  0.15  0.36  0.31  1.0
  N  N44  1  0.16  0.67  0.61  1.0
  N  N45  1  0.25  0.28  0.75  1.0
  N  N46  1  0.28  0.87  0.76  1.0
  N  N47  1  0.58  0.65  0.57  1.0
  N  N48  1  0.61  0.25  0.58  1.0
  N  N49  1  0.71  0.85  0.72  1.0
  N  N50  1  0.72  0.17  0.03  1.0
  O  O51  1  0.2  0.24  0.37  1.0
  O  O52  1  0.22  0.98  0.63  1.0
  O  O53  1  0.64  0.55  0.7  1.0
  O  O54  1  0.66  0.29  0.96  1.0

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