data_[Pu12O18]
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 [C2/m]
_cell_length_a [14.3014]
_cell_length_b [3.6110]
_cell_length_c [8.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2O3]
_chemical_formula_sum '[Pu12 O18]'
_cell_volume [452.9275]
_cell_formula_units_Z [6]
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  0.0306  0.0000  0.8136  1
  Pu  Pu1  4  0.1384  0.5000  0.4899  1
  Pu  Pu2  4  0.1843  0.5000  0.1297  1
  O  O3  4  0.0323  0.5000  0.6592  1
  O  O4  4  0.1268  0.0000  0.2742  1
  O  O5  4  0.1752  0.0000  0.9622  1
  O  O6  4  0.2110  0.0000  0.6168  1
  O  O7  2  0.0000  0.5000  0.0000  1
]