data_[Tl9S6O24]
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 [R-3m]
_cell_length_a [5.7706]
_cell_length_b [5.7706]
_cell_length_c [22.3463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tl3(SO4)2]
_chemical_formula_sum '[Tl9 S6 O24]'
_cell_volume [644.4420]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2077  1.0
  Tl  Tl1  3  0.0000  0.0000  0.0000  1.0
  S  S2  6  0.0000  0.0000  0.3907  1.0
  O  O3  18  0.0508  0.5254  0.2520  1.0
  O  O4  6  0.0000  0.0000  0.3251  1.0
]