data_[Pu4W6N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3709]
_cell_length_b [6.3109]
_cell_length_c [5.1112]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2W3N8]
_chemical_formula_sum '[Pu4 W6 N16]'
_cell_volume [340.8874]
_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  4  0.2352  0.5000  0.6604  1
  W  W1  4  0.0000  0.2758  0.0000  1
  W  W2  2  0.0000  0.0000  0.5000  1
  N  N3  8  0.1138  0.2183  0.4085  1
  N  N4  4  0.1038  0.5000  0.9262  1
  N  N5  4  0.1044  0.0000  0.9162  1
]