data_[Pu16Sn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [7.2679]
_cell_length_b [7.2679]
_cell_length_c [21.5243]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Pu2Sn3]
_chemical_formula_sum '[Pu16 Sn24]'
_cell_volume [1136.9653]
_cell_formula_units_Z [8]
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  16  0.0000  0.2207  0.2959  1
  Sn  Sn1  16  0.0000  0.2205  0.4489  1
  Sn  Sn2  8  0.0000  0.2500  0.1250  1
]