data_[Ge12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [10.7315]
_cell_length_b [5.3639]
_cell_length_c [5.4808]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge3Au]
_chemical_formula_sum '[Ge12 Au4]'
_cell_volume [314.7436]
_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
[
  Ge  Ge0  4  0.1127  0.0000  0.7434  1
  Ge  Ge1  4  0.1374  0.5000  0.1936  1
  Ge  Ge2  4  0.1430  0.0000  0.2562  1
  Au  Au3  4  0.1057  0.5000  0.7054  1
]