data_[Sr6Ti3Ir9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.0776]
_cell_length_b [7.0776]
_cell_length_c [17.2853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2Ti(IrO4)3]
_chemical_formula_sum '[Sr6 Ti3 Ir9 O36]'
_cell_volume [749.8657]
_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
[
  Sr  Sr0  6  0.0000  0.0000  0.3779  1
  Ti  Ti1  3  0.0000  0.0000  0.0000  1
  Ir  Ir2  9  0.0000  0.5000  0.5000  1
  O  O3  18  0.0517  0.5258  0.8560  1
  O  O4  18  0.0545  0.5272  0.6110  1
]