data_[K1Li2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.5590]
_cell_length_b [6.0746]
_cell_length_c [8.9596]
_cell_angle_alpha [91.1192]
_cell_angle_beta [102.9782]
_cell_angle_gamma [90.9348]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2IrCl8]
_chemical_formula_sum '[K1 Li2 Ir1 Cl8]'
_cell_volume [294.6995]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Li  Li1  2  0.4589  0.4714  0.7949  1
  Ir  Ir2  1  0.0000  0.0000  0.0000  1
  Cl  Cl3  2  0.1886  0.8249  0.8245  1
  Cl  Cl4  2  0.2364  0.3209  0.9937  1
  Cl  Cl5  2  0.2607  0.4914  0.5169  1
  Cl  Cl6  2  0.2922  0.8705  0.2118  1
]