data_[Pu12Si36Ir6Pt6]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.8714]
_cell_length_b [5.8714]
_cell_length_c [37.8086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2Si6IrPt]
_chemical_formula_sum '[Pu12 Si36 Ir6 Pt6]'
_cell_volume [1128.7604]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1253  1
  Pu  Pu1  6  0.0000  0.0000  0.2755  1
  Si  Si2  18  0.0620  0.5310  0.7196  1
  Si  Si3  18  0.0660  0.5330  0.8695  1
  Ir  Ir4  3  -0.0000  -0.0000  0.5000  1
  Ir  Ir5  3  0.0000  0.0000  0.0000  1
  Pt  Pt6  6  0.0000  0.0000  0.4202  1
]