data_[Tl2Cd1Ir1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.8538]
_cell_length_b [6.8824]
_cell_length_c [5.0769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tl2CdIrO8]
_chemical_formula_sum '[Tl2 Cd1 Ir1 O8]'
_cell_volume [169.2721]
_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  2  0.5000  0.2504  0.5000  1.0
  Cd  Cd1  1  0.0000  0.5000  0.0000  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  O  O3  4  0.2132  0.1996  0.8593  1.0
  O  O4  2  0.2430  0.0000  0.3200  1.0
  O  O5  2  0.2657  0.5000  0.3377  1.0
]