data_CoH22N7(ClO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.88
_cell_length_c   10.3
_cell_angle_alpha   114.42
_cell_angle_beta   114.42
_cell_angle_gamma   55.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH22N7(ClO2)4
_chemical_formula_sum   'Co1 H22 N7 Cl4 O8'
_cell_volume   464.5
_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  0.91  0.0  0.61  1.0
  H  H1  1  0.91  0.54  0.23  1.0
  H  H2  1  0.91  0.46  0.23  1.0
  H  H3  1  0.94  0.78  0.24  1.0
  H  H4  1  0.94  0.22  0.24  1.0
  H  H5  1  0.5  0.17  0.36  1.0
  H  H6  1  0.5  0.27  0.54  1.0
  H  H7  1  0.5  0.73  0.54  1.0
  H  H8  1  0.83  0.86  0.32  1.0
  H  H9  1  0.5  0.83  0.36  1.0
  H  H10  1  0.83  0.14  0.32  1.0
  H  H11  1  0.56  0.08  0.47  1.0
  H  H12  1  0.03  0.84  0.34  1.0
  H  H13  1  0.54  0.02  0.12  1.0
  H  H14  1  0.08  0.6  0.9  1.0
  H  H15  1  0.56  0.92  0.47  1.0
  H  H16  1  0.38  0.0  0.49  1.0
  H  H17  1  0.03  0.16  0.34  1.0
  H  H18  1  0.96  0.2  0.2  1.0
  H  H19  1  0.96  0.8  0.2  1.0
  H  H20  1  0.54  0.98  0.12  1.0
  H  H21  1  0.08  0.4  0.9  1.0
  H  H22  1  0.69  0.0  0.91  1.0
  N  N23  1  0.07  0.0  0.15  1.0
  N  N24  1  0.85  0.08  0.0  1.0
  N  N25  1  0.85  0.92  0.0  1.0
  N  N26  1  0.66  0.0  0.26  1.0
  N  N27  1  0.08  0.81  0.91  1.0
  N  N28  1  0.08  0.19  0.91  1.0
  N  N29  1  0.5  0.0  0.91  1.0
  Cl  Cl30  1  0.41  0.0  0.25  1.0
  Cl  Cl31  1  0.81  0.0  0.27  1.0
  Cl  Cl32  1  0.53  0.0  0.83  1.0
  Cl  Cl33  1  0.78  0.0  0.09  1.0
  O  O34  1  0.39  0.0  0.72  1.0
  O  O35  1  0.08  0.46  0.59  1.0
  O  O36  1  0.17  0.0  0.56  1.0
  O  O37  1  0.08  0.54  0.59  1.0
  O  O38  1  0.05  0.0  0.74  1.0
  O  O39  1  0.15  0.46  0.77  1.0
  O  O40  1  0.15  0.54  0.77  1.0
  O  O41  1  0.77  0.0  0.64  1.0

data_CoH22N7(ClO2)4
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.31
_cell_length_b   7.88
_cell_length_c   10.05
_cell_angle_alpha   68.91
_cell_angle_beta   68.69
_cell_angle_gamma   62.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoH22N7(ClO2)4
_chemical_formula_sum   'Co1 H22 N7 Cl4 O8'
_cell_volume   464.5
_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  0.3  0.61  1.0
  H  H1  1  0.0  0.79  0.91  1.0
  H  H2  1  0.0  0.89  0.49  1.0
  H  H3  1  0.02  0.4  0.12  1.0
  H  H4  1  0.08  0.01  0.47  1.0
  H  H5  1  0.14  0.37  0.32  1.0
  H  H6  1  0.16  0.53  0.34  1.0
  H  H7  1  0.17  0.97  0.36  1.0
  H  H8  1  0.2  0.56  0.2  1.0
  H  H9  1  0.22  0.49  0.24  1.0
  H  H10  1  0.27  0.69  0.54  1.0
  H  H11  1  0.4  0.78  0.9  1.0
  H  H12  1  0.46  0.22  0.23  1.0
  H  H13  1  0.54  0.14  0.23  1.0
  H  H14  1  0.6  0.57  0.9  1.0
  H  H15  1  0.73  0.24  0.54  1.0
  H  H16  1  0.78  0.92  0.24  1.0
  H  H17  1  0.8  0.96  0.2  1.0
  H  H18  1  0.83  0.31  0.36  1.0
  H  H19  1  0.84  0.85  0.34  1.0
  H  H20  1  0.86  0.65  0.32  1.0
  H  H21  1  0.92  0.16  0.47  1.0
  H  H22  1  0.98  0.45  0.12  1.0
  N  N23  1  0.0  0.39  0.26  1.0
  N  N24  1  0.0  0.58  0.91  1.0
  N  N25  1  0.0  0.91  0.15  1.0
  N  N26  1  0.08  0.77  0.0  1.0
  N  N27  1  0.19  0.97  0.91  1.0
  N  N28  1  0.81  0.36  0.91  1.0
  N  N29  1  0.92  0.93  0.0  1.0
  Cl  Cl30  1  0.0  0.16  0.25  1.0
  Cl  Cl31  1  0.0  0.54  0.27  1.0
  Cl  Cl32  1  0.0  0.68  0.09  1.0
  Cl  Cl33  1  0.0  0.7  0.83  1.0
  O  O34  1  0.0  0.14  0.64  1.0
  O  O35  1  0.0  0.32  0.74  1.0
  O  O36  1  0.0  0.6  0.56  1.0
  O  O37  1  0.0  0.66  0.72  1.0
  O  O38  1  0.46  0.91  0.77  1.0
  O  O39  1  0.46  0.02  0.59  1.0
  O  O40  1  0.54  0.95  0.59  1.0
  O  O41  1  0.54  0.83  0.77  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 N N N N N N N Cl Cl Cl Cl O O O O O O O O