data_CoC8(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.64
_cell_length_b   8.45
_cell_length_c   17.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoC8(NCl2)2
_chemical_formula_sum   'Co4 C32 N8 Cl16'
_cell_volume   1721.19
_cell_formula_units_Z   4
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  0.39  0.11  0.79  1.0
  Co  Co1  1  0.58  0.11  0.96  1.0
  Co  Co2  1  0.24  0.34  0.71  1.0
  Co  Co3  1  0.06  0.34  0.55  1.0
  C  C4  1  0.67  0.11  0.81  1.0
  C  C5  1  0.85  0.11  0.94  1.0
  C  C6  1  0.97  0.34  0.7  1.0
  C  C7  1  0.79  0.34  0.57  1.0
  C  C8  1  0.55  0.11  0.33  1.0
  C  C9  1  0.73  0.11  0.93  1.0
  C  C10  1  0.09  0.34  0.18  1.0
  C  C11  1  0.91  0.34  0.57  1.0
  C  C12  1  0.39  0.11  0.7  1.0
  C  C13  1  0.57  0.11  0.56  1.0
  C  C14  1  0.25  0.34  0.81  1.0
  C  C15  1  0.07  0.34  0.95  1.0
  C  C16  1  0.73  0.42  0.61  1.0
  C  C17  1  0.91  0.8  0.15  1.0
  C  C18  1  0.91  0.65  0.9  1.0
  C  C19  1  0.73  0.03  0.36  1.0
  C  C20  1  0.91  0.03  0.9  1.0
  C  C21  1  0.73  0.65  0.36  1.0
  C  C22  1  0.73  0.8  0.61  1.0
  C  C23  1  0.91  0.42  0.15  1.0
  C  C24  1  0.36  0.11  0.21  1.0
  C  C25  1  0.54  0.11  0.54  1.0
  C  C26  1  0.27  0.34  0.29  1.0
  C  C27  1  0.09  0.34  0.97  1.0
  C  C28  1  0.09  0.82  0.05  1.0
  C  C29  1  0.91  0.4  0.22  1.0
  C  C30  1  0.54  0.05  0.46  1.0
  C  C31  1  0.72  0.62  0.29  1.0
  C  C32  1  0.54  0.62  0.46  1.0
  C  C33  1  0.72  0.05  0.29  1.0
  C  C34  1  0.09  0.4  0.05  1.0
  C  C35  1  0.91  0.82  0.22  1.0
  N  N36  1  0.6  0.11  0.13  1.0
  N  N37  1  0.78  0.11  0.62  1.0
  N  N38  1  0.04  0.34  0.37  1.0
  N  N39  1  0.86  0.34  0.89  1.0
  N  N40  1  0.38  0.11  0.45  1.0
  N  N41  1  0.2  0.11  0.82  1.0
  N  N42  1  0.26  0.34  0.06  1.0
  N  N43  1  0.44  0.34  0.69  1.0
  Cl  Cl44  1  0.4  0.11  0.48  1.0
  Cl  Cl45  1  0.58  0.11  0.28  1.0
  Cl  Cl46  1  0.24  0.34  0.03  1.0
  Cl  Cl47  1  0.05  0.34  0.23  1.0
  Cl  Cl48  1  0.86  0.55  0.94  1.0
  Cl  Cl49  1  0.04  0.67  0.81  1.0
  Cl  Cl50  1  0.78  0.78  0.57  1.0
  Cl  Cl51  1  0.6  0.89  0.69  1.0
  Cl  Cl52  1  0.78  0.89  0.57  1.0
  Cl  Cl53  1  0.6  0.78  0.69  1.0
  Cl  Cl54  1  0.86  0.67  0.94  1.0
  Cl  Cl55  1  0.04  0.55  0.81  1.0
  Cl  Cl56  1  0.72  0.11  0.65  1.0
  Cl  Cl57  1  0.9  0.11  0.62  1.0
  Cl  Cl58  1  0.91  0.34  0.86  1.0
  Cl  Cl59  1  0.73  0.34  0.89  1.0

data_CoC8(NCl2)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   8.45
_cell_length_b   11.64
_cell_length_c   17.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoC8(NCl2)2
_chemical_formula_sum   'Co4 C32 N8 Cl16'
_cell_volume   1721.19
_cell_formula_units_Z   4
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  0.39  0.58  0.04  1.0
  Co  Co1  2  0.39  0.76  0.21  1.0
  C  C2  2  0.08  0.91  0.85  1.0
  C  C3  2  0.08  0.09  0.39  1.0
  C  C4  2  0.1  0.09  0.46  1.0
  C  C5  2  0.1  0.28  0.29  1.0
  C  C6  2  0.3  0.09  0.15  1.0
  C  C7  2  0.3  0.91  0.61  1.0
  C  C8  2  0.32  0.91  0.54  1.0
  C  C9  2  0.32  0.72  0.71  1.0
  C  C10  2  0.39  0.03  0.19  1.0
  C  C11  2  0.39  0.54  0.46  1.0
  C  C12  2  0.39  0.57  0.95  1.0
  C  C13  2  0.39  0.73  0.79  1.0
  C  C14  2  0.39  0.73  0.57  1.0
  C  C15  2  0.39  0.75  0.81  1.0
  C  C16  2  0.39  0.85  0.06  1.0
  C  C17  2  0.39  0.91  0.18  1.0
  N  N18  2  0.39  0.38  0.06  1.0
  N  N19  2  0.39  0.56  0.69  1.0
  N  N20  2  0.39  0.78  0.38  1.0
  N  N21  2  0.39  0.96  0.87  1.0
  Cl  Cl22  2  0.05  0.96  0.81  1.0
  Cl  Cl23  2  0.05  0.78  0.94  1.0
  Cl  Cl24  2  0.17  0.78  0.94  1.0
  Cl  Cl25  2  0.17  0.96  0.81  1.0
  Cl  Cl26  2  0.39  0.09  0.86  1.0
  Cl  Cl27  2  0.39  0.58  0.72  1.0
  Cl  Cl28  2  0.39  0.76  0.52  1.0
  Cl  Cl29  2  0.39  0.9  0.89  1.0

Co Co Co Co 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 C C C C N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl