data_[Sn4Ge4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  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 [13.2979]
_cell_length_b [5.7401]
_cell_length_c [6.6239]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnGeAu4]
_chemical_formula_sum '[Sn4 Ge4 Au16]'
_cell_volume [501.7679]
_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
[
  Sn  Sn0  4  0.2369  0.0000  0.7116  1.0
  Ge  Ge1  4  0.1163  0.5000  0.7730  1.0
  Au  Au2  8  0.0958  0.2474  0.4254  1.0
  Au  Au3  4  0.0000  0.2471  0.0000  1.0
  Au  Au4  4  0.1895  0.0000  0.1092  1.0
]