data_[Cs1Li2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [6.0645]
_cell_length_b [7.1978]
_cell_length_c [8.3429]
_cell_angle_alpha [79.5186]
_cell_angle_beta [81.0928]
_cell_angle_gamma [88.1658]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2IrCl8]
_chemical_formula_sum '[Cs1 Li2 Ir1 Cl8]'
_cell_volume [353.7798]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4843  0.0045  0.6854  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1153  0.0082  0.2549  1.0
  Cl  Cl4  2  0.2513  0.7619  0.9544  1.0
  Cl  Cl5  2  0.2695  0.2218  0.8671  1.0
  Cl  Cl6  2  0.4806  0.7496  0.5474  1.0
]