data_Cd(N2Cl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   113.07
_cell_angle_beta   113.07
_cell_angle_gamma   113.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(N2Cl3)2
_chemical_formula_sum   'Cd2 N8 Cl12'
_cell_volume   625.82
_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
  Cd  Cd0  1  0.0  0.0  0.98  1.0
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  N  N2  1  0.0  0.0  0.99  1.0
  N  N3  1  0.0  0.0  0.97  1.0
  N  N4  1  0.15  0.2  0.65  1.0
  N  N5  1  0.95  0.76  0.65  1.0
  N  N6  1  0.9  0.04  0.65  1.0
  N  N7  1  0.05  0.24  0.32  1.0
  N  N8  1  0.1  0.96  0.32  1.0
  N  N9  1  0.85  0.8  0.32  1.0
  Cl  Cl10  1  0.66  0.25  0.19  1.0
  Cl  Cl11  1  0.32  0.48  0.19  1.0
  Cl  Cl12  1  0.02  0.27  0.19  1.0
  Cl  Cl13  1  0.68  0.01  0.52  1.0
  Cl  Cl14  1  0.09  0.49  0.52  1.0
  Cl  Cl15  1  0.23  0.5  0.52  1.0
  Cl  Cl16  1  0.34  0.75  0.78  1.0
  Cl  Cl17  1  0.68  0.52  0.78  1.0
  Cl  Cl18  1  0.98  0.73  0.78  1.0
  Cl  Cl19  1  0.32  0.99  0.45  1.0
  Cl  Cl20  1  0.91  0.51  0.45  1.0
  Cl  Cl21  1  0.77  0.5  0.45  1.0

data_Cd(N2Cl3)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.97
_cell_length_b   9.89
_cell_length_c   9.89
_cell_angle_alpha   113.07
_cell_angle_beta   105.58
_cell_angle_gamma   105.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(N2Cl3)2
_chemical_formula_sum   'Cd2 N8 Cl12'
_cell_volume   625.82
_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
  Cd  Cd0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.98  0.98  0.98  1.0
  N  N2  1  0.32  0.22  0.36  1.0
  N  N3  1  0.32  0.27  0.08  1.0
  N  N4  1  0.32  0.47  0.52  1.0
  N  N5  1  0.65  0.5  0.45  1.0
  N  N6  1  0.65  0.69  0.88  1.0
  N  N7  1  0.65  0.75  0.61  1.0
  N  N8  1  0.97  0.97  0.97  1.0
  N  N9  1  0.99  0.99  0.99  1.0
  Cl  Cl10  1  0.19  0.17  0.92  1.0
  Cl  Cl11  1  0.19  0.53  0.94  1.0
  Cl  Cl12  1  0.19  0.87  0.7  1.0
  Cl  Cl13  1  0.45  0.13  0.46  1.0
  Cl  Cl14  1  0.45  0.54  0.94  1.0
  Cl  Cl15  1  0.45  0.68  0.95  1.0
  Cl  Cl16  1  0.52  0.29  0.01  1.0
  Cl  Cl17  1  0.52  0.43  0.03  1.0
  Cl  Cl18  1  0.52  0.83  0.51  1.0
  Cl  Cl19  1  0.78  0.1  0.26  1.0
  Cl  Cl20  1  0.78  0.44  0.03  1.0
  Cl  Cl21  1  0.78  0.8  0.04  1.0

Cd Cd N N N N N N N N Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl