data_[Tl4H8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.3093]
_cell_length_b [8.1497]
_cell_length_c [5.9492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.1188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlH2F6]
_chemical_formula_sum '[Tl4 H8 F24]'
_cell_volume [452.5711]
_cell_formula_units_Z [4]
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  0.2435  0.7500  1.0
  H  H1  8  0.1435  0.4384  0.5177  1.0
  F  F2  8  0.0943  0.0455  0.0228  1.0
  F  F3  8  0.1214  0.3108  0.5217  1.0
  F  F4  8  0.1618  0.4092  0.0109  1.0
]