data_[K2Tl2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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]
_cell_length_a [8.5246]
_cell_length_b [4.9933]
_cell_length_c [8.9897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5999]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KTl(SO4)2]
_chemical_formula_sum '[K2 Tl2 S4 O16]'
_cell_volume [362.6644]
_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
[
  K  K0  2  0.0000  0.9573  0.0000  1.0
  Tl  Tl1  2  0.0000  0.5244  0.5000  1.0
  S  S2  4  0.2159  0.0006  0.7219  1.0
  O  O3  4  0.0509  0.8564  0.6842  1.0
  O  O4  4  0.1804  0.2979  0.7026  1.0
  O  O5  4  0.1841  0.4565  0.1146  1.0
  O  O6  4  0.2054  0.3978  0.3933  1.0
]