data_[Tl6Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [5.6889]
_cell_length_b [5.8153]
_cell_length_c [10.2885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.1167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl3IrO6]
_chemical_formula_sum '[Tl6 Ir2 O12]'
_cell_volume [285.0822]
_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
[
  Tl  Tl0  4  0.2311  0.0469  0.7553  1
  Tl  Tl1  2  0.5000  0.0000  0.5000  1
  Ir  Ir2  2  0.0000  0.0000  0.0000  1
  O  O3  4  0.0917  0.2392  0.4115  1
  O  O4  4  0.1906  0.6971  0.4271  1
  O  O5  4  0.3443  0.0729  0.2079  1
]