data_[Tl6Ag3Ir3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8035]
_cell_length_b [5.8035]
_cell_length_c [14.4297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Tl2AgIrO6]
_chemical_formula_sum '[Tl6 Ag3 Ir3 O18]'
_cell_volume [420.8927]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4524  1.0
  Tl  Tl1  3  0.0000  0.0000  0.9768  1.0
  Ag  Ag2  3  0.0000  0.0000  0.2103  1.0
  Ir  Ir3  3  0.0000  0.0000  0.6776  1.0
  O  O4  9  0.0001  0.7342  0.5923  1.0
  O  O5  9  0.0281  0.4001  0.4148  1.0
]