data_[Li4Pu2Al2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1827]
_cell_length_b [5.3580]
_cell_length_c [9.1181]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li2PuAlO6]
_chemical_formula_sum '[Li4 Pu2 Al2 O12]'
_cell_volume [208.8147]
_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
[
  Li  Li0  4  0.2471  0.5254  0.7488  1
  Pu  Pu1  2  0.5000  0.0000  0.0000  1
  Al  Al2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1230  0.6987  0.4427  1
  O  O4  4  0.2483  0.1870  0.4418  1
  O  O5  4  0.3560  0.5394  0.2429  1
]