data_[Tl4Zn2Ir2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  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 [5.4850]
_cell_length_b [5.5603]
_cell_length_c [9.8008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tl2ZnIrO6]
_chemical_formula_sum '[Tl4 Zn2 Ir2 O12]'
_cell_volume [251.5932]
_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  0.2795  0.5424  0.7567  1.0
  Zn  Zn1  2  0.5000  0.0000  0.0000  1.0
  Ir  Ir2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.1105  0.5529  0.2289  1.0
  O  O4  4  0.2744  0.2246  0.0715  1.0
  O  O5  4  0.3411  0.7104  0.0609  1.0
]