data_CoH14C14(N2O)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   8.26
_cell_length_c   9.36
_cell_angle_alpha   111.91
_cell_angle_beta   98.26
_cell_angle_gamma   91.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH14C14(N2O)6
_chemical_formula_sum   'Co1 H14 C14 N12 O6'
_cell_volume   490.95
_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  0.16  0.25  0.84  1.0
  H  H2  1  0.25  0.49  0.72  1.0
  H  H3  1  0.42  0.74  0.58  1.0
  H  H4  1  0.98  1.0  0.98  1.0
  H  H5  1  0.07  0.79  0.85  1.0
  H  H6  1  0.34  0.95  0.71  1.0
  H  H7  1  0.61  0.19  0.39  1.0
  H  H8  1  0.8  0.54  0.17  1.0
  H  H9  1  0.01  0.42  0.63  1.0
  H  H10  1  0.39  0.32  0.94  1.0
  H  H11  1  0.76  0.28  0.72  1.0
  H  H12  1  0.64  0.46  0.84  1.0
  H  H13  1  0.82  0.71  0.9  1.0
  H  H14  1  0.58  0.03  0.66  1.0
  C  C15  1  0.76  0.29  0.16  1.0
  C  C16  1  0.65  0.45  0.4  1.0
  C  C17  1  0.34  0.34  0.59  1.0
  C  C18  1  0.06  0.4  0.97  1.0
  C  C19  1  0.97  0.09  0.77  1.0
  C  C20  1  0.43  0.65  0.79  1.0
  C  C21  1  0.57  0.73  0.56  1.0
  C  C22  1  0.83  0.01  0.0  1.0
  C  C23  1  0.27  0.45  0.45  1.0
  C  C24  1  0.14  0.29  0.11  1.0
  C  C25  1  0.82  0.65  0.61  1.0
  C  C26  1  0.58  0.09  0.96  1.0
  C  C27  1  0.23  0.04  0.8  1.0
  C  C28  1  0.17  0.7  0.76  1.0
  N  N29  1  0.0  0.57  0.9  1.0
  N  N30  1  0.4  0.17  0.66  1.0
  N  N31  1  0.43  0.61  0.49  1.0
  N  N32  1  0.97  0.13  0.08  1.0
  N  N33  1  0.49  0.5  0.46  1.0
  N  N34  1  0.92  0.24  0.1  1.0
  N  N35  1  0.74  0.93  0.29  1.0
  N  N36  1  0.66  0.81  0.28  1.0
  N  N37  1  0.2  0.73  0.58  1.0
  N  N38  1  0.2  0.0  0.98  1.0
  N  N39  1  0.29  0.25  0.9  1.0
  N  N40  1  0.11  0.49  0.66  1.0
  O  O41  1  0.02  0.12  0.63  1.0
  O  O42  1  0.38  0.62  0.93  1.0
  O  O43  1  0.7  0.25  0.11  1.0
  O  O44  1  0.71  0.49  0.45  1.0
  O  O45  1  0.5  0.3  0.14  1.0
  O  O46  1  0.9  0.44  0.42  1.0

data_CoH14C14(N2O)6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.94
_cell_length_b   8.26
_cell_length_c   9.36
_cell_angle_alpha   111.91
_cell_angle_beta   98.26
_cell_angle_gamma   91.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH14C14(N2O)6
_chemical_formula_sum   'Co1 H14 C14 N12 O6'
_cell_volume   490.95
_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  0.42  0.63  1.0
  H  H2  1  0.07  0.79  0.85  1.0
  H  H3  1  0.16  0.25  0.84  1.0
  H  H4  1  0.25  0.49  0.72  1.0
  H  H5  1  0.34  0.95  0.71  1.0
  H  H6  1  0.39  0.32  0.94  1.0
  H  H7  1  0.42  0.74  0.58  1.0
  H  H8  1  0.58  0.03  0.66  1.0
  H  H9  1  0.61  0.19  0.39  1.0
  H  H10  1  0.64  0.46  0.84  1.0
  H  H11  1  0.76  0.28  0.72  1.0
  H  H12  1  0.8  0.54  0.17  1.0
  H  H13  1  0.82  0.71  0.9  1.0
  H  H14  1  0.98  1.0  0.98  1.0
  C  C15  1  0.06  0.4  0.97  1.0
  C  C16  1  0.14  0.29  0.11  1.0
  C  C17  1  0.17  0.7  0.76  1.0
  C  C18  1  0.23  0.04  0.8  1.0
  C  C19  1  0.27  0.45  0.45  1.0
  C  C20  1  0.34  0.34  0.59  1.0
  C  C21  1  0.43  0.65  0.79  1.0
  C  C22  1  0.57  0.73  0.56  1.0
  C  C23  1  0.58  0.09  0.96  1.0
  C  C24  1  0.65  0.45  0.4  1.0
  C  C25  1  0.76  0.29  0.16  1.0
  C  C26  1  0.82  0.65  0.61  1.0
  C  C27  1  0.83  0.01  0.0  1.0
  C  C28  1  0.97  0.09  0.77  1.0
  N  N29  1  0.0  0.57  0.9  1.0
  N  N30  1  0.11  0.49  0.66  1.0
  N  N31  1  0.2  0.73  0.58  1.0
  N  N32  1  0.2  0.0  0.98  1.0
  N  N33  1  0.29  0.25  0.9  1.0
  N  N34  1  0.4  0.17  0.66  1.0
  N  N35  1  0.43  0.61  0.49  1.0
  N  N36  1  0.49  0.5  0.46  1.0
  N  N37  1  0.66  0.81  0.28  1.0
  N  N38  1  0.74  0.93  0.29  1.0
  N  N39  1  0.92  0.24  0.1  1.0
  N  N40  1  0.97  0.13  0.08  1.0
  O  O41  1  0.02  0.12  0.63  1.0
  O  O42  1  0.38  0.62  0.93  1.0
  O  O43  1  0.5  0.3  0.14  1.0
  O  O44  1  0.7  0.25  0.11  1.0
  O  O45  1  0.71  0.49  0.45  1.0
  O  O46  1  0.9  0.44  0.42  1.0

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