data_[Pu6Th24P36]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [11.3180]
_cell_length_b [11.3180]
_cell_length_c [14.0498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Pu(Th2P3)2]
_chemical_formula_sum '[Pu6 Th24 P36]'
_cell_volume [1558.6246]
_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  0.0000  1
  Th  Th1  18  0.0000  0.3805  0.2500  1
  Th  Th2  6  0.0000  0.0000  0.2500  1
  P  P3  36  0.0275  0.8213  0.8874  1
]