data_[K1Tl2Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2898]
_cell_length_b [5.8770]
_cell_length_c [7.1650]
_cell_angle_alpha [87.7948]
_cell_angle_beta [74.2519]
_cell_angle_gamma [86.4799]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTl2IrO8]
_chemical_formula_sum '[K1 Tl2 Ir1 O8]'
_cell_volume [173.4863]
_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
[
  K  K0  1  0.5000  0.0000  0.5000  1
  Tl  Tl1  2  0.1449  0.4515  0.2152  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  O  O3  2  0.1162  0.0754  0.2368  1
  O  O4  2  0.2476  0.6900  0.9607  1
  O  O5  2  0.3363  0.1490  0.8534  1
  O  O6  2  0.3505  0.4532  0.5020  1
]