data_[Pu2H4N2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7179]
_cell_length_b [3.7098]
_cell_length_c [11.5196]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PuH2NO6]
_chemical_formula_sum '[Pu2 H4 N2 O12]'
_cell_volume [285.9938]
_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  2  0.5000  0.0000  0.0000  1
  H  H1  4  0.4634  0.5005  0.8094  1
  N  N2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.0247  0.6816  0.0904  1
  O  O4  4  0.2512  0.5049  0.3583  1
  O  O5  4  0.4255  0.0011  0.5985  1
]