data_[La8Pu4Th4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Cmc2_1]
_cell_length_a [3.8345]
_cell_length_b [13.5183]
_cell_length_c [11.9998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2PuThN5]
_chemical_formula_sum '[La8 Pu4 Th4 N20]'
_cell_volume [622.0165]
_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
[
  La  La0  4  0.0000  0.1105  0.7050  1
  La  La1  4  0.0000  0.1500  0.2347  1
  Pu  Pu2  4  0.0000  0.4704  0.4714  1
  Th  Th3  4  0.0000  0.2611  0.9785  1
  N  N4  4  0.0000  0.0748  0.0314  1
  N  N5  4  0.0000  0.2576  0.6139  1
  N  N6  4  0.0000  0.3055  0.3546  1
  N  N7  4  0.0000  0.4082  0.8500  1
  N  N8  4  0.0000  0.4147  0.0844  1
]