data_PuCdO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99
_cell_length_b   5.99
_cell_length_c   5.99
_cell_angle_alpha   58.92
_cell_angle_beta   58.92
_cell_angle_gamma   58.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PuCdO3
_chemical_formula_sum   'Pu2 Cd2 O6'
_cell_volume   147.91
_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
  Pu  Pu8  1  0.0  0.0  0.18  1.0
  Pu  Pu9  1  0.0  0.0  0.6  1.0
  Cd  Cd0  1  0.0  0.0  0.41  1.0
  Cd  Cd1  1  0.0  0.0  0.37  1.0
  O  O2  1  0.12  0.82  0.21  1.0
  O  O3  1  0.09  0.92  0.21  1.0
  O  O4  1  0.79  0.26  0.21  1.0
  O  O5  1  0.21  0.74  0.57  1.0
  O  O6  1  0.91  0.08  0.57  1.0
  O  O7  1  0.88  0.18  0.57  1.0

data_PuCdO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.99
_cell_angle_alpha   60.54
_cell_angle_beta   60.54
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PuCdO3
_chemical_formula_sum   'Pu2 Cd2 O6'
_cell_volume   147.91
_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
  Pu  Pu0  2  0.0  0.29  0.21  1.0
  Cd  Cd1  2  0.0  0.48  0.02  1.0
  O  O2  2  0.08  0.68  0.84  1.0
  O  O3  2  0.18  0.68  0.76  1.0
  O  O4  2  0.26  0.32  0.13  1.0

Pu Pu Cd Cd O O O O O O
Pu Pu Cd Cd O O O O O O 0 5 o - o 0 6 - o o 1 8 - o o 1 7 o - o 2 3 o o o 2 6 - o o 2 7 o - o 3 6 - o o 3 7 o - o 4 5 o o o 8 9 o o o 