data_[Pu3Sn12Pd6Ru3]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.5982]
_cell_length_b [4.5982]
_cell_length_c [27.3594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PuSn4Pd2Ru]
_chemical_formula_sum '[Pu3 Sn12 Pd6 Ru3]'
_cell_volume [500.9613]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Sn  Sn1  6  0.0000  0.0000  0.1305  1
  Sn  Sn2  6  0.0000  0.0000  0.3944  1
  Pd  Pd3  6  0.0000  0.0000  0.2362  1
  Ru  Ru4  3  -0.0000  -0.0000  0.5000  1
]