data_[Pu8Sn20Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5912]
_cell_length_b [26.8344]
_cell_length_c [7.2983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2Sn5Pd3]
_chemical_formula_sum '[Pu8 Sn20 Pd12]'
_cell_volume [899.1686]
_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
[
  Pu  Pu0  4  0.0000  0.1730  0.2335  1
  Pu  Pu1  4  0.0000  0.4783  0.2533  1
  Sn  Sn2  4  0.0000  0.0481  0.0841  1
  Sn  Sn3  4  0.0000  0.1192  0.7545  1
  Sn  Sn4  4  0.0000  0.2900  0.0133  1
  Sn  Sn5  4  0.0000  0.2941  0.4421  1
  Sn  Sn6  4  0.0000  0.4023  0.8839  1
  Pd  Pd7  4  0.0000  0.0508  0.4694  1
  Pd  Pd8  4  0.0000  0.2207  0.7243  1
  Pd  Pd9  4  0.0000  0.3938  0.5063  1
]