data_[Mo6Ir6O33]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  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 [5.5926]
_cell_length_b [5.5926]
_cell_length_c [24.1048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mo2Ir2O11]
_chemical_formula_sum '[Mo6 Ir6 O33]'
_cell_volume [652.9238]
_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
[
  Mo  Mo0  6  0.0000  0.0000  0.1156  1
  Ir  Ir1  6  0.0000  0.0000  0.3732  1
  O  O2  18  0.0180  0.5090  0.2418  1
  O  O3  9  0.0000  0.5000  0.0000  1
  O  O4  6  0.0000  0.0000  0.1873  1
]