data_[Li2Tl2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2_1/m]
_cell_length_a [5.1323]
_cell_length_b [5.5221]
_cell_length_c [7.9944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiTlSO4]
_chemical_formula_sum '[Li2 Tl2 S2 O8]'
_cell_volume [221.9352]
_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
[
  Li  Li0  2  0.3482  0.7500  0.4973  1
  Tl  Tl1  2  0.2181  0.2500  0.8370  1
  S  S2  2  0.1586  0.2500  0.3006  1
  O  O3  4  0.3351  0.0312  0.3295  1
  O  O4  2  0.0009  0.7500  0.8781  1
  O  O5  2  0.0248  0.7500  0.5787  1
]