data_[Pu2O3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6054]
_cell_length_b [4.3684]
_cell_length_c [18.3629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pu2O3]
_chemical_formula_sum '[Pu2 O3]'
_cell_volume [289.2144]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4580  1
  Pu  Pu1  1  0.5000  0.5000  0.5818  1
  O  O2  1  0.0000  0.5000  0.5080  1
  O  O3  1  0.5000  0.0000  0.3987  1
  O  O4  1  0.5000  0.0000  0.5535  1
]