data_[Tl2H12I2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8719]
_cell_length_b [8.3623]
_cell_length_c [6.2236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlH6I]
_chemical_formula_sum '[Tl2 H12 I2]'
_cell_volume [315.9998]
_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  2  0.0000  0.5000  0.5000  1
  H  H1  8  0.0094  0.1559  0.5654  1
  H  H2  4  0.0604  0.5000  0.0152  1
  I  I3  2  0.0000  0.0000  0.0000  1
]