data_Cd2Ni2C8N12O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   134.75
_cell_angle_beta   81.07
_cell_angle_gamma   116.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ni2C8N12O
_chemical_formula_sum   'Cd2 Ni2 C8 N12 O1'
_cell_volume   564.84
_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
  Cd  Cd0  1  0.0  0.7  0.1  1.0
  Cd  Cd1  1  0.74  0.7  1.0  1.0
  Ni  Ni2  1  0.74  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.41  1.0
  C  C4  1  0.31  0.71  0.63  1.0
  C  C5  1  0.57  0.08  0.47  1.0
  C  C6  1  0.31  0.31  0.37  1.0
  C  C7  1  0.31  0.08  0.63  1.0
  C  C8  1  0.43  0.08  0.47  1.0
  C  C9  1  0.43  0.31  0.72  1.0
  C  C10  1  0.43  0.69  0.72  1.0
  C  C11  1  0.17  0.31  0.37  1.0
  N  N12  1  0.0  0.1  0.51  1.0
  N  N13  1  0.0  0.29  0.69  1.0
  N  N14  1  0.74  0.11  0.59  1.0
  N  N15  1  0.0  0.7  0.51  1.0
  N  N16  1  0.13  0.54  0.7  1.0
  N  N17  1  0.39  0.26  0.4  1.0
  N  N18  1  0.13  0.14  0.3  1.0
  N  N19  1  0.13  0.26  0.7  1.0
  N  N20  1  0.61  0.26  0.4  1.0
  N  N21  1  0.61  0.14  0.8  1.0
  N  N22  1  0.61  0.86  0.8  1.0
  N  N23  1  0.35  0.14  0.3  1.0
  O  O24  1  0.0  0.0  0.21  1.0

data_Cd2Ni2C8N12O
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.49
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   63.18
_cell_angle_beta   67.38
_cell_angle_gamma   67.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2Ni2C8N12O
_chemical_formula_sum   'Cd2 Ni2 C8 N12 O1'
_cell_volume   564.84
_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
  Cd  Cd0  1  0.05  0.26  0.7  1.0
  Cd  Cd1  1  0.3  0.0  0.6  1.0
  Ni  Ni2  1  0.0  0.0  0.59  1.0
  Ni  Ni3  1  0.74  0.26  0.32  1.0
  C  C4  1  0.12  0.57  0.59  1.0
  C  C5  1  0.23  0.69  0.46  1.0
  C  C6  1  0.35  0.57  0.61  1.0
  C  C7  1  0.49  0.43  0.61  1.0
  C  C8  1  0.6  0.69  0.09  1.0
  C  C9  1  0.74  0.57  0.96  1.0
  C  C10  1  0.86  0.83  0.94  1.0
  C  C11  1  1.0  0.69  0.94  1.0
  N  N12  1  0.13  0.61  0.86  1.0
  N  N13  1  0.21  0.65  0.84  1.0
  N  N14  1  0.3  0.0  0.19  1.0
  N  N15  1  0.35  0.39  0.86  1.0
  N  N16  1  0.47  0.39  0.34  1.0
  N  N17  1  0.6  0.87  0.83  1.0
  N  N18  1  0.64  0.26  0.51  1.0
  N  N19  1  0.71  -0.0  0.6  1.0
  N  N20  1  0.75  0.39  0.06  1.0
  N  N21  1  0.88  0.87  0.55  1.0
  N  N22  1  0.9  -0.0  0.59  1.0
  N  N23  1  0.99  0.87  0.84  1.0
  O  O24  1  0.0  0.0  0.79  1.0

Cd Cd Ni Ni C C C C C C C C N N N N N N N N N N N N O