data_[Pu8Si6H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9793]
_cell_length_b [3.9886]
_cell_length_c [10.8960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pu4Si3H4]
_chemical_formula_sum '[Pu8 Si6 H8]'
_cell_volume [346.7789]
_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  0.2477  0.0000  0.6880  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Pu  Pu2  2  0.5000  0.0000  0.9708  1
  Si  Si3  4  0.2475  0.0000  0.4009  1
  Si  Si4  2  0.0000  0.0000  0.2847  1
  H  H5  4  0.2679  0.0000  0.0917  1
  H  H6  2  0.0000  0.0000  0.5944  1
  H  H7  2  0.5000  0.0000  0.5873  1
]