data_[Pu12Bi12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7156]
_cell_length_b [9.7733]
_cell_length_c [8.6444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5317]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3Bi3H]
_chemical_formula_sum '[Pu12 Bi12 H4]'
_cell_volume [729.9811]
_cell_formula_units_Z [4]
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  8  0.2399  0.3214  0.7420  1
  Pu  Pu1  4  0.1355  0.0000  0.8728  1
  Bi  Bi2  4  0.0000  0.1597  0.5000  1
  Bi  Bi3  4  0.0000  0.3061  0.0000  1
  Bi  Bi4  4  0.1432  0.5000  0.4074  1
  H  H5  4  0.1300  0.0000  0.1375  1
]