data_[Tl2Cu2H2S2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  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 [4.6518]
_cell_length_b [5.8852]
_cell_length_c [9.1516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6276]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TlCuHSO5]
_chemical_formula_sum '[Tl2 Cu2 H2 S2 O10]'
_cell_volume [247.7091]
_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  2  0.0942  0.2500  0.3877  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3956  0.2500  0.1187  1.0
  S  S3  2  0.4916  0.2500  0.7747  1.0
  O  O4  4  0.3184  0.0407  0.7830  1.0
  O  O5  2  0.1828  0.2500  0.1125  1.0
  O  O6  2  0.2806  0.7500  0.0797  1.0
  O  O7  2  0.3534  0.7500  0.3545  1.0
]