data_[Ba24Tl8Ir4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Fm-3m]
_cell_length_a [11.6482]
_cell_length_b [11.6482]
_cell_length_c [11.6482]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ba6Tl2IrO]
_chemical_formula_sum '[Ba24 Tl8 Ir4 O4]'
_cell_volume [1580.4327]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  24  0.0000  0.0000  0.2407  1.0
  Tl  Tl1  8  0.2500  0.2500  0.2500  1.0
  Ir  Ir2  4  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0000  0.0000  0.0000  1.0
]