data_[Si4Ge4Au4]
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 [C2]
_cell_length_a [10.1560]
_cell_length_b [6.0519]
_cell_length_c [3.9304]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9748]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SiGeAu]
_chemical_formula_sum '[Si4 Ge4 Au4]'
_cell_volume [229.7863]
_cell_formula_units_Z [4]
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  4  0.1495  0.4574  0.7647  1
  Ge  Ge1  4  0.1998  0.0673  0.6279  1
  Au  Au2  2  0.0000  0.1863  0.0000  1
  Au  Au3  2  0.0000  0.7734  0.5000  1
]