data_[Tl12S4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [8.8847]
_cell_length_b [11.2594]
_cell_length_c [6.2935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tl3SO6]
_chemical_formula_sum '[Tl12 S4 O24]'
_cell_volume [629.5844]
_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  8  0.2000  0.1061  0.5120  1
  Tl  Tl1  4  0.0000  0.4079  0.4999  1
  S  S2  4  0.0000  0.1745  0.9694  1
  O  O3  8  0.1411  0.2320  0.8669  1
  O  O4  8  0.1661  0.4985  0.7400  1
  O  O5  4  0.0000  0.0474  0.8693  1
  O  O6  4  0.0000  0.2128  0.4382  1
]