data_[Ba4Ca2Pu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1962]
_cell_length_b [6.1515]
_cell_length_c [10.6589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2CaPuO6]
_chemical_formula_sum '[Ba4 Ca2 Pu2 O12]'
_cell_volume [331.4859]
_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  0.2448  0.0150  0.2499  1
  Ca  Ca1  2  0.5000  0.0000  0.0000  1
  Pu  Pu2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1787  0.2451  0.9630  1
  O  O4  4  0.2169  0.7179  0.9652  1
  O  O5  4  0.3006  0.0095  0.7341  1
]