data_[Pu6Si18Ir4]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.0636]
_cell_length_b [10.0785]
_cell_length_c [11.3245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pu3Si9Ir2]
_chemical_formula_sum '[Pu6 Si18 Ir4]'
_cell_volume [463.7976]
_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  0.0000  0.0000  0.3150  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Si  Si2  8  0.0000  0.2743  0.1309  1
  Si  Si3  8  0.0000  0.3768  0.3323  1
  Si  Si4  2  0.0000  0.5000  0.0000  1
  Ir  Ir5  4  0.0000  0.2295  0.5000  1
]