data_[Li2Pu4Ti2O16]
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
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.6455]
_cell_length_b [6.7347]
_cell_length_c [6.7777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [LiPu2TiO8]
_chemical_formula_sum '[Li2 Pu4 Ti2 O16]'
_cell_volume [303.3406]
_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  0.0000  0.5000  1
  Pu  Pu1  4  0.0000  0.5000  0.2504  1
  Ti  Ti2  2  0.0000  0.0000  0.0000  1
  O  O3  8  0.1974  0.0000  0.2234  1
  O  O4  4  0.0000  0.2923  0.0000  1
  O  O5  4  0.0000  0.3122  0.5000  1
]