data_[Pu6Ge12Pd18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8657]
_cell_length_b [4.0336]
_cell_length_c [10.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7140]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PuGe2Pd3]
_chemical_formula_sum '[Pu6 Ge12 Pd18]'
_cell_volume [652.3975]
_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  4  0.1584  0.0000  0.7025  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0411  0.5000  0.7818  1
  Ge  Ge3  4  0.1377  0.5000  0.4595  1
  Ge  Ge4  4  0.1976  0.0000  0.1333  1
  Pd  Pd5  4  0.0408  0.0000  0.3324  1
  Pd  Pd6  4  0.1200  0.5000  0.2003  1
  Pd  Pd7  4  0.1807  0.5000  0.9670  1
  Pd  Pd8  4  0.2166  0.0000  0.3941  1
  Pd  Pd9  2  0.0000  0.5000  0.5000  1
]