data_[Ba2Li4Pu2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9775]
_cell_length_b [5.5992]
_cell_length_c [5.5215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.0238]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaLi2PuO6]
_chemical_formula_sum '[Ba2 Li4 Pu2 O12]'
_cell_volume [296.7613]
_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  2  0.0000  0.0000  0.5000  1
  Li  Li1  4  0.2291  0.5000  0.6238  1
  Pu  Pu2  2  0.0000  0.5000  0.0000  1
  O  O3  8  0.1226  0.2578  0.2709  1
  O  O4  4  0.1147  0.5000  0.8166  1
]