data_[Tl4S4O14]
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 [7.5558]
_cell_length_b [10.8485]
_cell_length_c [5.2012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2S2O7]
_chemical_formula_sum '[Tl4 S4 O14]'
_cell_volume [421.7354]
_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  0.0000  0.3046  0.0000  1.0
  S  S1  4  0.2071  0.0000  0.4467  1.0
  O  O2  8  0.2244  0.1137  0.3016  1.0
  O  O3  4  0.1877  0.5000  0.2927  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]