data_[Tl4Ge2S6]
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 [P-1]
_cell_length_a [6.9349]
_cell_length_b [7.0885]
_cell_length_c [8.5842]
_cell_angle_alpha [88.9138]
_cell_angle_beta [68.0763]
_cell_angle_gamma [66.6830]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2GeS3]
_chemical_formula_sum '[Tl4 Ge2 S6]'
_cell_volume [355.3635]
_cell_formula_units_Z [2]
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  2  0.1371  0.0408  0.6730  1.0
  Tl  Tl1  2  0.2781  0.3138  0.1098  1.0
  Ge  Ge2  2  0.4299  0.4488  0.6829  1.0
  S  S3  2  0.2408  0.5344  0.5045  1.0
  S  S4  2  0.2505  0.6900  0.9065  1.0
  S  S5  2  0.4918  0.8724  0.2662  1.0
]