data_[Ba16Si16Ge8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Fmmm]
_cell_length_a [8.6670]
_cell_length_b [10.0414]
_cell_length_c [15.0187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ba2Si2GeAu]
_chemical_formula_sum '[Ba16 Si16 Ge8 Au8]'
_cell_volume [1307.0566]
_cell_formula_units_Z [8]
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
[
  Ba  Ba0  8  0.0000  0.2449  0.0000  1
  Ba  Ba1  8  0.2500  0.2500  0.2500  1
  Si  Si2  16  0.2486  0.0000  0.9205  1
  Ge  Ge3  8  0.0000  0.0000  0.1616  1
  Au  Au4  8  0.0000  0.0000  0.3390  1
]