data_[Tl2H1Ir1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8332]
_cell_length_b [5.8138]
_cell_length_c [5.8301]
_cell_angle_alpha [113.3135]
_cell_angle_beta [113.5110]
_cell_angle_gamma [96.8625]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tl2HIrO6]
_chemical_formula_sum '[Tl2 H1 Ir1 O6]'
_cell_volume [130.2608]
_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  0.2416  0.7093  0.3973  1
  Tl  Tl1  1  0.7796  0.3498  0.6191  1
  Ir  Ir2  1  0.0074  0.0154  0.0086  1
  H  H3  1  0.3974  0.2649  0.9268  1
  O  O4  1  0.0964  0.3063  0.3744  1
  O  O5  1  0.2241  0.3129  0.9700  1
  O  O6  1  0.4027  0.9763  0.2114  1
  O  O7  1  0.6210  0.0882  0.8146  1
  O  O8  1  0.8126  0.7266  0.0367  1
  O  O9  1  0.9134  0.7514  0.6359  1
]