data_[Cs4Ge4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [13.6872]
_cell_length_b [7.5215]
_cell_length_c [8.2636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsGeAuS3]
_chemical_formula_sum '[Cs4 Ge4 Au4 S12]'
_cell_volume [789.1950]
_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
[
  Cs  Cs0  4  0.1595  0.5000  0.2262  1.0
  Ge  Ge1  4  0.0579  0.0000  0.8748  1.0
  Au  Au2  4  0.0000  0.2487  0.5000  1.0
  S  S3  8  0.1088  0.2534  0.7929  1.0
  S  S4  4  0.1176  0.0000  0.1737  1.0
]