data_[Tl2H1I1F6]
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
  I  2.6600  1.4000  1.2733
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0186]
_cell_length_b [6.2329]
_cell_length_c [6.4123]
_cell_angle_alpha [112.6530]
_cell_angle_beta [95.8407]
_cell_angle_gamma [103.4649]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2HIF6]
_chemical_formula_sum '[Tl2 H1 I1 F6]'
_cell_volume [210.9179]
_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  0.2572  0.4829  0.7060  1
  Tl  Tl1  1  0.6704  0.5221  0.2603  1
  H  H2  1  0.7197  0.1788  0.6469  1
  I  I3  1  0.9761  0.9964  0.9799  1
  F  F4  1  0.1256  0.0010  0.2709  1
  F  F5  1  0.2945  0.1124  0.9129  1
  F  F6  1  0.3038  0.5313  0.3650  1
  F  F7  1  0.6621  0.8620  0.0515  1
  F  F8  1  0.6918  0.3307  0.6469  1
  F  F9  1  0.7927  0.9804  0.6587  1
]