data_[Pu12Os2Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Os  2.2000  1.3000  0.6730
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P6_322]
_cell_length_a [5.7121]
_cell_length_b [5.7121]
_cell_length_c [13.1514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [182]
_chemical_formula_structural [Pu6OsPd3]
_chemical_formula_sum '[Pu12 Os2 Pd6]'
_cell_volume [371.6129]
_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  12  0.1363  0.3666  0.8359  1
  Pd  Pd1  4  0.3333  0.6667  0.4581  1
  Pd  Pd2  2  0.0000  0.0000  0.0000  1
  Os  Os3  2  0.3333  0.6667  0.2500  1
]