data_[Pu4Th8Sn4N20]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5599]
_cell_length_b [14.2529]
_cell_length_c [11.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [PuTh2SnN5]
_chemical_formula_sum '[Pu4 Th8 Sn4 N20]'
_cell_volume [576.6399]
_cell_formula_units_Z [4]
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  4  0.0000  0.2299  0.9882  1
  Th  Th1  4  0.0000  0.1279  0.7126  1
  Th  Th2  4  0.0000  0.1338  0.2483  1
  Sn  Sn3  4  0.0000  0.4952  0.4794  1
  N  N4  4  0.0000  0.0618  0.0486  1
  N  N5  4  0.0000  0.2857  0.6382  1
  N  N6  4  0.0000  0.2861  0.3446  1
  N  N7  4  0.0000  0.3753  0.0682  1
  N  N8  4  0.0000  0.4857  0.7959  1
]