data_[Pu4Ti8O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmcm]
_cell_length_a [4.0230]
_cell_length_b [9.5081]
_cell_length_c [9.7222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PuTi2O5]
_chemical_formula_sum '[Pu4 Ti8 O20]'
_cell_volume [371.8826]
_cell_formula_units_Z [4]
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
[
  Pu  Pu0  4  0.0000  0.4625  0.7500  1
  Ti  Ti1  8  0.0000  0.1552  0.5516  1
  O  O2  8  0.0000  0.0468  0.1204  1
  O  O3  8  0.0000  0.3454  0.0470  1
  O  O4  4  0.0000  0.2164  0.7500  1
]