data_[Pu16H4C8]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.3984]
_cell_length_b [7.3984]
_cell_length_c [9.3007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Pu4HC2]
_chemical_formula_sum '[Pu16 H4 C8]'
_cell_volume [509.0801]
_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  16  0.0000  0.2290  0.3647  1
  H  H1  4  0.0000  0.0000  0.0000  1
  C  C2  8  0.0000  0.2500  0.6250  1
]