data_CdH10C4(BrN)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   6.89
_cell_angle_alpha   90.18
_cell_angle_beta   90.18
_cell_angle_gamma   113.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdH10C4(BrN)2
_chemical_formula_sum   'Cd2 H20 C8 Br4 N4'
_cell_volume   435.04
_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  0.52  0.99  0.72  1.0
  Cd  Cd1  1  0.5  0.01  0.17  1.0
  H  H2  1  0.33  0.13  0.91  1.0
  H  H3  1  0.67  0.13  0.43  1.0
  H  H4  1  0.7  0.87  0.99  1.0
  H  H5  1  0.35  0.87  0.46  1.0
  H  H6  1  0.14  0.57  0.45  1.0
  H  H7  1  0.9  0.57  0.0  1.0
  H  H8  1  0.88  0.43  0.45  1.0
  H  H9  1  0.12  0.43  0.89  1.0
  H  H10  1  0.8  0.03  0.61  1.0
  H  H11  1  0.24  0.03  0.83  1.0
  H  H12  1  0.22  0.97  0.28  1.0
  H  H13  1  0.78  0.97  0.06  1.0
  H  H14  1  0.39  0.65  0.34  1.0
  H  H15  1  0.65  0.65  0.11  1.0
  H  H16  1  0.63  0.35  0.55  1.0
  H  H17  1  0.37  0.35  0.79  1.0
  H  H18  1  0.35  0.28  0.64  1.0
  H  H19  1  0.66  0.28  0.71  1.0
  H  H20  1  0.68  0.72  0.26  1.0
  H  H21  1  0.37  0.72  0.19  1.0
  C  C22  1  0.78  0.54  0.59  1.0
  C  C23  1  0.26  0.54  0.86  1.0
  C  C24  1  0.24  0.46  0.31  1.0
  C  C25  1  0.76  0.46  0.04  1.0
  C  C26  1  0.38  0.2  0.29  1.0
  C  C27  1  0.66  0.2  0.16  1.0
  C  C28  1  0.64  0.8  0.61  1.0
  C  C29  1  0.36  0.8  0.74  1.0
  Br  Br30  1  0.62  0.96  0.33  1.0
  Br  Br31  1  0.38  0.96  0.01  1.0
  Br  Br32  1  0.4  0.04  0.57  1.0
  Br  Br33  1  0.64  0.04  0.88  1.0
  N  N34  1  0.9  0.56  0.02  1.0
  N  N35  1  0.15  0.56  0.43  1.0
  N  N36  1  0.13  0.44  0.87  1.0
  N  N37  1  0.87  0.44  0.47  1.0

data_CdH10C4(BrN)2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.89
_cell_length_b   8.31
_cell_length_c   8.31
_cell_angle_alpha   113.91
_cell_angle_beta   90.18
_cell_angle_gamma   90.18
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CdH10C4(BrN)2
_chemical_formula_sum   'Cd2 H20 C8 Br4 N4'
_cell_volume   435.04
_cell_formula_units_Z   2
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
  Cd  Cd0  2  0.28  0.51  0.99  1.0
  H  H1  2  0.0  0.87  0.43  1.0
  H  H2  2  0.01  0.34  0.87  1.0
  H  H3  2  0.11  0.62  0.35  1.0
  H  H4  2  0.17  0.79  0.03  1.0
  H  H5  2  0.19  0.33  0.28  1.0
  H  H6  2  0.26  0.64  0.28  1.0
  H  H7  2  0.34  0.36  0.35  1.0
  H  H8  2  0.39  0.23  0.03  1.0
  H  H9  2  0.45  0.11  0.43  1.0
  H  H10  2  0.46  0.32  0.13  1.0
  C  C11  2  0.14  0.77  0.54  1.0
  C  C12  2  0.16  0.63  0.8  1.0
  C  C13  2  0.29  0.35  0.8  1.0
  C  C14  2  0.41  0.25  0.54  1.0
  Br  Br15  2  0.12  0.39  0.04  1.0
  Br  Br16  2  0.43  0.63  0.04  1.0
  N  N17  2  0.02  0.86  0.44  1.0
  N  N18  2  0.43  0.12  0.44  1.0

Cd Cd H H H H H H H H H H H H H H H H H H H H C C C C C C C C Br Br Br Br N N N N