data_[Pu12H36Ir6Pd6]
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
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1195]
_cell_length_b [5.1195]
_cell_length_c [29.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2H6IrPd]
_chemical_formula_sum '[Pu12 H36 Ir6 Pd6]'
_cell_volume [658.7697]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1220  1
  Pu  Pu1  6  0.0000  0.0000  0.2929  1
  H  H2  18  0.0050  0.5025  0.8645  1
  H  H3  18  0.0129  0.5065  0.7032  1
  Pd  Pd4  6  0.0000  0.0000  0.4061  1
  Ir  Ir5  3  -0.0000  -0.0000  0.5000  1
  Ir  Ir6  3  0.0000  0.0000  0.0000  1
]