data_[Pu4Ge8Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1028]
_cell_length_b [4.3856]
_cell_length_c [10.8780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PuGe2Au]
_chemical_formula_sum '[Pu4 Ge8 Au4]'
_cell_volume [338.8537]
_cell_formula_units_Z [4]
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  0.1630  0.7500  0.1429  1
  Ge  Ge1  4  0.1309  0.7500  0.8695  1
  Ge  Ge2  4  0.1807  0.7500  0.4302  1
  Au  Au3  4  0.0246  0.7500  0.6473  1
]