data_[Pu8Ga8Ir4]
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 [C2/m]
_cell_length_a [10.4808]
_cell_length_b [4.2523]
_cell_length_c [9.9931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ga2Ir]
_chemical_formula_sum '[Pu8 Ga8 Ir4]'
_cell_volume [419.6992]
_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  0.0068  0.5000  0.3400  1
  Pu  Pu1  4  0.1956  0.5000  0.1046  1
  Ga  Ga2  4  0.0154  0.0000  0.8790  1
  Ga  Ga3  4  0.1628  0.0000  0.5548  1
  Ir  Ir4  4  0.2209  0.0000  0.3129  1
]