data_[K3Al6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [8.1412]
_cell_length_b [8.1412]
_cell_length_c [24.5394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K(AlI3)2]
_chemical_formula_sum '[K3 Al6 I18]'
_cell_volume [1408.5463]
_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  0.6605  1.0
  Al  Al1  3  0.0000  0.0000  0.2770  1.0
  Al  Al2  3  0.0000  0.0000  0.3913  1.0
  I  I3  9  0.0009  0.6986  0.4184  1.0
  I  I4  9  0.0522  0.3472  0.9168  1.0
]