data_[Tl2H6Ir2]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9067]
_cell_length_b [4.9142]
_cell_length_c [5.4915]
_cell_angle_alpha [77.6135]
_cell_angle_beta [72.1010]
_cell_angle_gamma [71.0725]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TlH3Ir]
_chemical_formula_sum '[Tl2 H6 Ir2]'
_cell_volume [118.2188]
_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  0.3406  0.8262  0.3940  1
  H  H1  2  0.0475  0.5074  0.8113  1
  H  H2  2  0.1732  0.0647  0.9662  1
  Ir  Ir3  2  0.1931  0.6916  0.9782  1
  H  H4  2  0.4132  0.3459  0.0857  1
]