data_[Ac18Pu6Ge36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [12.4134]
_cell_length_b [12.4134]
_cell_length_c [12.0710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Ac3PuGe6]
_chemical_formula_sum '[Ac18 Pu6 Ge36]'
_cell_volume [1610.8454]
_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
[
  Ac  Ac0  18  0.0000  0.4359  0.7500  1
  Pu  Pu1  6  0.0000  0.0000  0.0000  1
  Ge  Ge2  36  0.0699  0.2176  0.8383  1
]