data_[Pu4H4Ir4]
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
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.3661]
_cell_length_b [5.4184]
_cell_length_c [7.7946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [PuHIr]
_chemical_formula_sum '[Pu4 H4 Ir4]'
_cell_volume [184.3977]
_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  2  0.0000  0.0000  0.8604  1
  Pu  Pu1  2  0.0000  0.5000  0.5524  1
  Ir  Ir2  4  0.0000  0.2353  0.2120  1
  H  H3  2  0.0000  0.0000  0.5707  1
  H  H4  2  0.0000  0.5000  0.8456  1
]