data_[Pu36Ga3Ge18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.5947]
_cell_length_b [10.5947]
_cell_length_c [12.7450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu12GaGe6]
_chemical_formula_sum '[Pu36 Ga3 Ge18]'
_cell_volume [1238.9301]
_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  18  0.0149  0.2104  0.4634  1
  Pu  Pu1  18  0.0222  0.3962  0.5825  1
  Ga  Ga2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  18  0.0185  0.8600  0.2818  1
]