data_[K1H1Ir1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2505]
_cell_length_b [6.4817]
_cell_length_c [6.8455]
_cell_angle_alpha [96.5198]
_cell_angle_beta [100.4174]
_cell_angle_gamma [110.8417]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KHIrCl6]
_chemical_formula_sum '[K1 H1 Ir1 Cl6]'
_cell_volume [250.0949]
_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  0.8496  0.1140  0.9258  1.0
  H  H1  1  0.2310  0.5087  0.3919  1.0
  Ir  Ir2  1  0.7031  0.4826  0.3844  1.0
  Cl  Cl3  1  0.4282  0.1852  0.1285  1.0
  Cl  Cl4  1  0.4402  0.6758  0.3635  1.0
  Cl  Cl5  1  0.5374  0.3040  0.6276  1.0
  Cl  Cl6  1  0.8621  0.6551  0.1326  1.0
  Cl  Cl7  1  0.9668  0.2973  0.4115  1.0
  Cl  Cl8  1  0.9816  0.7773  0.6343  1.0
]