data_[Pu2Th4N8]
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 [Pbam]
_cell_length_a [6.0219]
_cell_length_b [10.4636]
_cell_length_c [3.5741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [PuTh2N4]
_chemical_formula_sum '[Pu2 Th4 N8]'
_cell_volume [225.2086]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.0000  1
  Th  Th1  4  0.0526  0.1718  0.5000  1
  N  N2  4  0.1604  0.7018  0.0000  1
  N  N3  4  0.2465  0.4690  0.5000  1
]