data_[Tl8S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0256]
_cell_length_b [4.3522]
_cell_length_c [7.6324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2233]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl4S3]
_chemical_formula_sum '[Tl8 S6]'
_cell_volume [443.8291]
_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  4  0.1250  0.0000  0.4003  1.0
  Tl  Tl1  4  0.1521  0.5000  0.0179  1.0
  S  S2  4  0.1891  0.5000  0.6483  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
]