data_[Pu18Pa3O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.2028]
_cell_length_b [10.2028]
_cell_length_c [9.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu6PaO12]
_chemical_formula_sum '[Pu18 Pa3 O36]'
_cell_volume [860.7170]
_cell_formula_units_Z [3]
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  18  0.0432  0.7917  0.6509  1
  Pa  Pa1  3  0.0000  0.0000  0.0000  1
  O  O2  18  0.0342  0.8115  0.3996  1
  O  O3  18  0.0405  0.8329  0.8924  1
]