data_[Cs2K4Ir2Cl12]
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 [Pmmn]
_cell_length_a [7.0487]
_cell_length_b [10.9503]
_cell_length_c [9.1562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CsK2IrCl6]
_chemical_formula_sum '[Cs2 K4 Ir2 Cl12]'
_cell_volume [706.7234]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.6631  1.0
  K  K1  4  0.0000  0.3089  0.1523  1.0
  Ir  Ir2  2  0.0000  0.0000  0.8290  1.0
  Cl  Cl3  4  0.0000  0.2169  0.8264  1.0
  Cl  Cl4  4  0.2324  0.0000  0.0175  1.0
  Cl  Cl5  4  0.2404  0.0000  0.6480  1.0
]