data_[K18Ir6]
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
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8364]
_cell_length_b [11.6206]
_cell_length_c [15.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K3Ir]
_chemical_formula_sum '[K18 Ir6]'
_cell_volume [1020.0857]
_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  8  0.0000  0.2968  0.1386  1
  K  K1  8  0.0000  0.3677  0.3855  1
  K  K2  2  0.0000  0.0000  0.5000  1
  Ir  Ir3  4  0.0000  0.0000  0.1571  1
  Ir  Ir4  2  0.0000  0.0000  0.0000  1
]