data_[Pu6Th3Al6Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.0817]
_cell_length_b [4.0817]
_cell_length_c [27.3317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2Th(AlSi)2]
_chemical_formula_sum '[Pu6 Th3 Al6 Si6]'
_cell_volume [394.3398]
_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  6  0.0000  0.0000  0.1512  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Al  Al2  6  0.0000  0.0000  0.4154  1
  Si  Si3  6  0.0000  0.0000  0.2590  1
]