data_[Ge8Au4S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.9107]
_cell_length_b [3.4333]
_cell_length_c [6.1306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ge2AuS2]
_chemical_formula_sum '[Ge8 Au4 S8]'
_cell_volume [470.4491]
_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  0.1235  0.5000  0.4034  1.0
  Ge  Ge1  4  0.1914  0.0000  0.9241  1.0
  Au  Au2  4  0.2250  0.5000  0.3031  1.0
  S  S3  4  0.0602  0.0000  0.2813  1.0
  S  S4  4  0.1195  0.5000  0.7925  1.0
]