data_[Na1Pu3O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pu  1.2800  1.7500  0.9675
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.9505]
_cell_length_b [7.9505]
_cell_length_c [4.1308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [NaPu3O9]
_chemical_formula_sum '[Na1 Pu3 O9]'
_cell_volume [226.1295]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Pu  Pu1  3  0.0000  0.5000  0.5000  1
  O  O2  6  0.2046  0.4092  0.5000  1
  O  O3  3  0.0000  0.5000  0.0000  1
]