data_[Tl4Ge8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [12.3804]
_cell_length_b [13.6807]
_cell_length_c [6.1921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(GeS3)2]
_chemical_formula_sum '[Tl4 Ge8 S24]'
_cell_volume [952.8567]
_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
[
  Tl  Tl0  4  0.0000  0.2162  0.7500  1
  Ge  Ge1  8  0.2211  0.4291  0.8256  1
  S  S2  8  0.0856  0.0848  0.0974  1
  S  S3  8  0.1500  0.2927  0.6198  1
  S  S4  8  0.1585  0.4306  0.1174  1
]