data_[K18Ir6Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.1642]
_cell_length_b [12.1642]
_cell_length_c [14.6978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K3IrCl6]
_chemical_formula_sum '[K18 Ir6 Cl36]'
_cell_volume [1883.4292]
_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
[
  K  K0  18  0.0491  0.2706  0.7056  1
  Ir  Ir1  3  0.0000  0.0000  0.0000  1
  Ir  Ir2  3  0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0114  0.1663  0.9074  1
  Cl  Cl4  18  0.0326  0.1740  0.4067  1
]