data_Cd(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.2
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   121.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(CO2)2
_chemical_formula_sum   'Cd2 C4 O8'
_cell_volume   160.71
_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  Cd4  1  0.0  0.0  0.0  1.0
  Cd  Cd5  1  0.34  0.6  0.67  1.0
  C  C0  1  0.51  0.96  0.2  1.0
  C  C1  1  0.62  0.56  0.47  1.0
  C  C2  1  0.85  0.64  0.87  1.0
  C  C3  1  0.97  0.24  0.13  1.0
  O  O6  1  0.21  0.62  0.58  1.0
  O  O7  1  0.83  0.37  0.27  1.0
  O  O8  1  0.3  0.97  0.4  1.0
  O  O9  1  0.93  0.02  0.09  1.0
  O  O10  1  0.55  0.17  0.25  1.0
  O  O11  1  0.17  0.23  0.94  1.0
  O  O12  1  0.65  0.83  0.07  1.0
  O  O13  1  0.27  0.57  0.76  1.0

data_Cd(CO2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.79
_cell_length_c   5.89
_cell_angle_alpha   114.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd(CO2)2
_chemical_formula_sum   'Cd2 C4 O8'
_cell_volume   160.71
_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  0.6  0.33  0.67  1.0
  C  C2  1  0.24  0.17  0.13  1.0
  C  C3  1  0.56  0.84  0.47  1.0
  C  C4  1  0.64  0.02  0.87  1.0
  C  C5  1  0.96  0.7  0.2  1.0
  O  O6  1  0.02  0.16  0.09  1.0
  O  O7  1  0.17  0.7  0.25  1.0
  O  O8  1  0.23  0.76  0.94  1.0
  O  O9  1  0.37  0.44  0.27  1.0
  O  O10  1  0.57  0.49  0.76  1.0
  O  O11  1  0.62  0.37  0.58  1.0
  O  O12  1  0.83  0.43  0.07  1.0
  O  O13  1  0.97  0.1  0.4  1.0

Cd Cd C C C C O O O O O O O O
Cd Cd C C C C O O O O O O O O 0 9 - o o 0 4 - - - 0 8 o - o 0 11 o o - 1 6 o o o 1 3 o o o 1 4 o o o 1 8 o o o 1 13 o o o 2 10 o + o 2 3 o o o 2 8 o o o 2 11 o + - 2 12 o o o 3 10 o o o 3 8 o o o 3 7 o o o 3 4 o o o 4 12 o o + 4 5 o o + 4 9 o + + 5 9 o o o 5 7 o o o 5 8 + - o 5 11 + o - 6 8 o o o 6 13 o o o 7 10 o o o 8 9 - + o 8 10 o + o 9 12 o - o 10 11 o o - 