data_[Ba4Pu2Cd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1775]
_cell_length_b [6.1229]
_cell_length_c [10.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3703]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2PuCdO6]
_chemical_formula_sum '[Ba4 Pu2 Cd2 O12]'
_cell_volume [327.7458]
_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
[
  Ba  Ba0  4  0.2459  0.0150  0.2505  1
  Pu  Pu1  2  0.0000  0.0000  0.5000  1
  Cd  Cd2  2  0.5000  0.0000  0.0000  1
  O  O3  4  0.1802  0.2441  0.9644  1
  O  O4  4  0.2191  0.7185  0.9662  1
  O  O5  4  0.2992  0.0087  0.7347  1
]