data_[Pu4Ga8Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5162]
_cell_length_b [4.4083]
_cell_length_c [10.3944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PuGa2Ir]
_chemical_formula_sum '[Pu4 Ga8 Ir4]'
_cell_volume [298.5821]
_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  4  0.2372  0.2500  0.6594  1
  Ga  Ga1  4  0.0617  0.7500  0.8438  1
  Ga  Ga2  4  0.2363  0.2500  0.9516  1
  Ir  Ir3  4  0.0494  0.2500  0.3950  1
]