data_[Pu24Ga3Ir18]
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 [R-3]
_cell_length_a [6.8451]
_cell_length_b [6.8451]
_cell_length_c [19.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu8GaIr6]
_chemical_formula_sum '[Pu24 Ga3 Ir18]'
_cell_volume [777.3391]
_cell_formula_units_Z [3]
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  18  0.0062  0.3556  0.5323  1
  Pu  Pu1  6  0.0000  0.0000  0.2457  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Ir  Ir3  18  0.0367  0.7819  0.6312  1
]