data_[Si4Ge8S24]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7108]
_cell_length_b [12.9798]
_cell_length_c [6.0625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si(GeS3)2]
_chemical_formula_sum '[Si4 Ge8 S24]'
_cell_volume [897.6748]
_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  0.0000  0.2289  0.2500  1.0
  Ge  Ge1  8  0.2397  0.4174  0.4000  1.0
  S  S2  8  0.0861  0.1356  0.5740  1.0
  S  S3  8  0.1062  0.3115  0.1178  1.0
  S  S4  8  0.2106  0.4220  0.7396  1.0
]