data_[Si2Ge2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [3.9477]
_cell_length_b [4.6051]
_cell_length_c [7.2496]
_cell_angle_alpha [98.1605]
_cell_angle_beta [92.3673]
_cell_angle_gamma [105.4896]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiGeAu]
_chemical_formula_sum '[Si2 Ge2 Au2]'
_cell_volume [125.2857]
_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
[
  Si  Si0  1  0.0546  0.6288  0.7524  1
  Si  Si1  1  0.4925  0.4667  0.5816  1
  Ge  Ge2  1  0.1266  0.2521  0.2645  1
  Ge  Ge3  1  0.5941  0.9629  0.4183  1
  Au  Au4  1  0.1609  0.1706  0.8686  1
  Au  Au5  1  0.1926  0.7291  0.1054  1
]