data_[Pu18Th3Pa36]
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
  Pa  1.5000  1.8000  1.0400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [13.0642]
_cell_length_b [13.0642]
_cell_length_c [9.5284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu6ThPa12]
_chemical_formula_sum '[Pu18 Th3 Pa36]'
_cell_volume [1408.3639]
_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  0.0277  0.5139  0.2444  1
  Th  Th1  3  0.0000  0.0000  0.0000  1
  Pa  Pa2  18  0.0000  0.3813  0.5000  1
  Pa  Pa3  18  0.0863  0.1725  0.3415  1
]