data_[Sr2Tl4Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [5.8374]
_cell_length_b [6.0270]
_cell_length_c [10.2039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrTl2IrO6]
_chemical_formula_sum '[Sr2 Tl4 Ir2 O12]'
_cell_volume [295.2367]
_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
[
  Sr  Sr0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2792  0.5328  0.7719  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0937  0.5904  0.2110  1.0
  O  O4  4  0.2551  0.2436  0.0934  1.0
  O  O5  4  0.3187  0.6669  0.0371  1.0
]