data_[K6Ag3Ir3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ag  1.9300  1.6000  1.0867
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1918]
_cell_length_b [8.1918]
_cell_length_c [21.0858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2AgIrI6]
_chemical_formula_sum '[K6 Ag3 Ir3 I18]'
_cell_volume [1225.3981]
_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
[
  K  K0  3  0.0000  0.0000  0.0343  1.0
  K  K1  3  0.0000  0.0000  0.5514  1.0
  Ag  Ag2  3  0.0000  0.0000  0.7286  1.0
  Ir  Ir3  3  0.0000  0.0000  0.3332  1.0
  I  I4  9  0.0435  0.6098  0.0783  1.0
  I  I5  9  0.1073  0.3724  0.9260  1.0
]