data_[Pu6Si4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6616]
_cell_length_b [3.6616]
_cell_length_c [19.0276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pu3(SiN3)2]
_chemical_formula_sum '[Pu6 Si4 N12]'
_cell_volume [255.1159]
_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  0.0000  0.0000  0.1810  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0000  0.0000  0.3982  1
  N  N3  8  0.0000  0.5000  0.0862  1
  N  N4  4  0.0000  0.0000  0.3029  1
]