data_[Tl6S4]
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 [P2_1/m]
_cell_length_a [7.2814]
_cell_length_b [4.2767]
_cell_length_c [10.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tl3S2]
_chemical_formula_sum '[Tl6 S4]'
_cell_volume [319.1407]
_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  0.0929  0.2500  0.8466  1.0
  Tl  Tl1  2  0.2295  0.2500  0.4657  1.0
  Tl  Tl2  2  0.4495  0.2500  0.1713  1.0
  S  S3  2  0.1464  0.7500  0.6370  1.0
  S  S4  2  0.2654  0.7500  0.0278  1.0
]