data_[Na9Ir3N18O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ir  2.2000  1.3500  0.7650
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0879]
_cell_length_b [8.0879]
_cell_length_c [15.0323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na3Ir(NO2)6]
_chemical_formula_sum '[Na9 Ir3 N18 O36]'
_cell_volume [851.5871]
_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
[
  Na  Na0  6  0.0000  0.0000  0.2659  1
  Na  Na1  3  -0.0000  -0.0000  0.5000  1
  Ir  Ir2  3  0.0000  0.0000  0.0000  1
  N  N3  18  0.0838  0.5419  0.7428  1
  O  O4  18  0.0745  0.5372  0.2963  1
  O  O5  18  0.0868  0.5434  0.8256  1
]