data_[Tl6S4O16]
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 [C2/m]
_cell_length_a [10.0229]
_cell_length_b [5.8467]
_cell_length_c [7.8661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl3(SO4)2]
_chemical_formula_sum '[Tl6 S4 O16]'
_cell_volume [422.6914]
_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  0.2059  0.5000  0.6155  1.0
  Tl  Tl1  2  0.0000  0.5000  0.0000  1.0
  S  S2  4  0.1065  0.0000  0.8190  1.0
  O  O3  8  0.0131  0.2108  0.7520  1.0
  O  O4  4  0.1729  0.0000  0.0226  1.0
  O  O5  4  0.2214  0.0000  0.7409  1.0
]