data_[Tl2Ir1Ru1O6]
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
  Ru  2.2000  1.3000  0.6610
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5912]
_cell_length_b [5.6012]
_cell_length_c [5.6059]
_cell_angle_alpha [91.3686]
_cell_angle_beta [119.1743]
_cell_angle_gamma [119.1132]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tl2IrRuO6]
_chemical_formula_sum '[Tl2 Ir1 Ru1 O6]'
_cell_volume [125.8392]
_cell_formula_units_Z [1]
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  2  0.4950  0.7457  0.2485  1
  Ir  Ir1  1  0.0000  0.0000  0.0000  1
  Ru  Ru2  1  0.0000  0.5000  0.5000  1
  O  O3  2  0.0103  0.2687  0.2438  1
  O  O4  2  0.1211  0.8206  0.3186  1
  O  O5  2  0.4989  0.3063  0.1850  1
]