data_[Ba4Ge6Au4]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2701]
_cell_length_b [4.5189]
_cell_length_c [7.0186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7387]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Ge3Au2]
_chemical_formula_sum '[Ba4 Ge6 Au4]'
_cell_volume [383.5546]
_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
[
  Ba  Ba0  4  0.1744  0.0000  0.7364  1
  Ge  Ge1  4  0.0758  0.5000  0.3979  1
  Ge  Ge2  2  0.0000  0.5000  0.0000  1
  Au  Au3  4  0.0928  0.0000  0.2052  1
]