data_[Sr12Ir6Rh6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.6884]
_cell_length_b [5.6884]
_cell_length_c [28.7803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sr2IrRhO6]
_chemical_formula_sum '[Sr12 Ir6 Rh6 O36]'
_cell_volume [806.5145]
_cell_formula_units_Z [6]
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  0.1219  1.0
  Sr  Sr1  6  0.0000  0.0000  0.2812  1.0
  Ir  Ir2  3  -0.0000  -0.0000  0.5000  1.0
  Ir  Ir3  3  0.0000  0.0000  0.0000  1.0
  Rh  Rh4  6  0.0000  0.0000  0.4108  1.0
  O  O5  18  0.0107  0.5054  0.1224  1.0
  O  O6  18  0.0216  0.5108  0.7094  1.0
]