data_[K1H2Ir1Cl8]
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 [P-1]
_cell_length_a [6.5074]
_cell_length_b [7.1994]
_cell_length_c [7.6715]
_cell_angle_alpha [73.9055]
_cell_angle_beta [84.9888]
_cell_angle_gamma [84.6388]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH2IrCl8]
_chemical_formula_sum '[K1 H2 Ir1 Cl8]'
_cell_volume [343.0960]
_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  0.5000  0.5000  1.0
  H  H1  2  0.3285  0.8197  0.6788  1.0
  Ir  Ir2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1773  0.1773  0.1341  1.0
  Cl  Cl4  2  0.2217  0.0887  0.7357  1.0
  Cl  Cl5  2  0.2234  0.7297  0.1123  1.0
  Cl  Cl6  2  0.3938  0.6552  0.6406  1.0
]