data_[Ba1Ga2Ge2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6327]
_cell_length_b [6.6374]
_cell_length_c [6.9912]
_cell_angle_alpha [88.4299]
_cell_angle_beta [86.9597]
_cell_angle_gamma [61.9915]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaGa2(GeAu3)2]
_chemical_formula_sum '[Ba1 Ga2 Ge2 Au6]'
_cell_volume [271.3489]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga1  2  0.1294  0.1386  0.4616  1.0
  Ge  Ge2  2  0.2127  0.1864  0.0436  1.0
  Au  Au3  2  0.0090  0.4693  0.7234  1.0
  Au  Au4  2  0.0119  0.0235  0.8019  1.0
  Au  Au5  2  0.4609  0.0317  0.7108  1.0
]