data_[Pu6Ni12Sn18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.6669]
_cell_length_b [6.6669]
_cell_length_c [19.5732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PuNi2Sn3]
_chemical_formula_sum '[Pu6 Ni12 Sn18]'
_cell_volume [753.4327]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.2240  1
  Ni  Ni1  9  0.0000  0.5000  0.0000  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  Sn  Sn3  18  0.0046  0.5023  0.2431  1
]