data_[Li2Pu2Al22]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.3450]
_cell_length_b [12.7522]
_cell_length_c [7.0651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPuAl11]
_chemical_formula_sum '[Li2 Pu2 Al22]'
_cell_volume [451.0539]
_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  2  0.0000  0.5000  0.5000  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Al  Al2  8  0.1038  0.3927  0.2182  1
  Al  Al3  8  0.1751  0.1769  0.3525  1
  Al  Al4  4  0.2500  0.2500  0.0000  1
  Al  Al5  2  0.0000  0.0000  0.5000  1
]