data_[Ba6Ge9Pd36Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.5434]
_cell_length_b [8.5434]
_cell_length_c [18.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Ge3Pd12Au]
_chemical_formula_sum '[Ba6 Ge9 Pd36 Au3]'
_cell_volume [1189.6388]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3883  1
  Ge  Ge1  9  0.0000  0.5000  0.5000  1
  Pd  Pd2  18  0.0061  0.5031  0.3734  1
  Pd  Pd3  18  0.0371  0.5185  0.8685  1
  Au  Au4  3  0.0000  0.0000  0.0000  1
]