data_[Tl1H6O2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1594]
_cell_length_b [6.0012]
_cell_length_c [6.1367]
_cell_angle_alpha [113.9617]
_cell_angle_beta [91.2413]
_cell_angle_gamma [110.0393]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH6(OF)2]
_chemical_formula_sum '[Tl1 H6 O2 F2]'
_cell_volume [129.1740]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  H  H1  2  0.1076  0.6786  0.8680  1
  H  H2  2  0.1180  0.2431  0.3428  1
  H  H3  2  0.3554  0.3336  0.1644  1
  O  O4  2  0.1671  0.3627  0.2616  1
  F  F5  2  0.3503  0.7109  0.9743  1
]