data_[Tl8H8F24]
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 [9.8881]
_cell_length_b [10.4250]
_cell_length_c [5.8824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlHF3]
_chemical_formula_sum '[Tl8 H8 F24]'
_cell_volume [569.2990]
_cell_formula_units_Z [8]
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  0.0977  0.7500  1.0
  Tl  Tl1  4  0.0000  0.3933  0.2500  1.0
  H  H2  8  0.2483  0.1993  0.2840  1.0
  F  F3  8  0.1222  0.2878  0.6068  1.0
  F  F4  8  0.1332  0.1955  0.1892  1.0
  F  F5  8  0.1360  0.4545  0.0456  1.0
]