data_[Cs1K2Ir1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.7931]
_cell_length_b [6.8393]
_cell_length_c [9.3960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsK2IrCl8]
_chemical_formula_sum '[Cs1 K2 Ir1 Cl8]'
_cell_volume [356.7388]
_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  0.0000  0.5000  1.0
  K  K1  2  0.3387  0.5000  0.1902  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1740  0.2423  0.8870  1.0
  Cl  Cl4  2  0.2490  0.5000  0.5041  1.0
  Cl  Cl5  2  0.3367  0.0000  0.2124  1.0
]