data_[Pu3Al3Ge2Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9733]
_cell_length_b [6.9733]
_cell_length_c [4.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Pu3Al3Ge2Pd]
_chemical_formula_sum '[Pu3 Al3 Ge2 Pd1]'
_cell_volume [182.8203]
_cell_formula_units_Z [1]
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  0.4247  0.0000  1
  Al  Al1  3  0.0000  0.7670  0.5000  1
  Ge  Ge2  2  0.3333  0.6667  0.5000  1
  Pd  Pd3  1  0.0000  0.0000  0.0000  1
]