data_[Pu4Si2Ge2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7864]
_cell_length_b [8.4344]
_cell_length_c [9.1363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pu2SiGeAu6]
_chemical_formula_sum '[Pu4 Si2 Ge2 Au12]'
_cell_volume [445.8940]
_cell_formula_units_Z [2]
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  0.0000  0.2408  0.7354  1
  Si  Si1  2  0.0000  0.0000  0.2573  1
  Ge  Ge2  2  0.0000  0.5000  0.2955  1
  Au  Au3  4  0.0000  0.2599  0.1287  1
  Au  Au4  4  0.2442  0.5000  0.9799  1
  Au  Au5  4  0.2466  0.0000  0.4766  1
]