data_[Pu6Th18N36]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.0823]
_cell_length_b [10.0823]
_cell_length_c [11.6783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PuTh3N6]
_chemical_formula_sum '[Pu6 Th18 N36]'
_cell_volume [1028.0913]
_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  3  0.0000  0.0000  0.0000  1
  Pu  Pu1  3  0.0000  0.0000  0.5000  1
  Th  Th2  18  0.0380  0.2668  0.7099  1
  N  N3  18  0.0259  0.1783  0.3817  1
  N  N4  18  0.0344  0.2093  0.9092  1
]