data_[Rb4Tl4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [C2/m]
_cell_length_a [6.0368]
_cell_length_b [10.1871]
_cell_length_c [6.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6395]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Tl2IrO6]
_chemical_formula_sum '[Rb4 Tl4 Ir2 O12]'
_cell_volume [396.7744]
_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
[
  Rb  Rb0  4  0.0000  0.1718  0.0000  1.0
  Tl  Tl1  4  0.0000  0.3361  0.5000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  8  0.1975  0.1420  0.6684  1.0
  O  O4  4  0.2202  0.0000  0.3312  1.0
]