data_[Cs2Pu2Ti2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [6.0832]
_cell_length_b [6.1703]
_cell_length_c [8.1663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsPuTiO4]
_chemical_formula_sum '[Cs2 Pu2 Ti2 O8]'
_cell_volume [289.3299]
_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
[
  Cs  Cs0  2  0.3072  0.2500  0.0688  1
  Pu  Pu1  2  0.1889  0.2500  0.5410  1
  Ti  Ti2  2  0.2693  0.7500  0.3530  1
  O  O3  4  0.0575  0.5241  0.3411  1
  O  O4  2  0.4572  0.7500  0.2179  1
  O  O5  2  0.4933  0.7500  0.5605  1
]