data_[Zn18Ir6O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.6459]
_cell_length_b [8.6459]
_cell_length_c [10.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn3IrO6]
_chemical_formula_sum '[Zn18 Ir6 O36]'
_cell_volume [688.5665]
_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
[
  Zn  Zn0  18  0.0353  0.2593  0.7168  1
  Ir  Ir1  3  -0.0000  0.0000  0.5000  1
  Ir  Ir2  3  0.0000  0.0000  0.0000  1
  O  O3  18  0.0126  0.1826  0.3828  1
  O  O4  18  0.0289  0.2003  0.9008  1
]