data_[Ca4Pu2Pd2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1263]
_cell_length_b [5.6057]
_cell_length_c [5.3053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2PuPdO6]
_chemical_formula_sum '[Ca4 Pu2 Pd2 O12]'
_cell_volume [291.7127]
_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
[
  Ca  Ca0  4  0.2468  0.0000  0.1935  1
  Pu  Pu1  2  0.0000  0.5000  0.0000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  O  O3  8  0.0867  0.2426  0.8242  1
  O  O4  4  0.1783  0.5000  0.3253  1
]