data_[Pu4Pa2O16]
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 [C2/m]
_cell_length_a [6.3180]
_cell_length_b [10.0480]
_cell_length_c [4.5431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2PaO8]
_chemical_formula_sum '[Pu4 Pa2 O16]'
_cell_volume [279.5682]
_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
[
  Pu  Pu0  4  0.0000  0.3302  0.0000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  O  O2  8  0.2160  0.1355  0.0948  1
  O  O3  4  0.0000  0.1987  0.5000  1
  O  O4  4  0.1286  0.5000  0.2983  1
]