data_[K1Cu1H6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.0774]
_cell_length_b [4.8512]
_cell_length_c [5.6860]
_cell_angle_alpha [84.1760]
_cell_angle_beta [89.0389]
_cell_angle_gamma [65.3021]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KCuH6Ir]
_chemical_formula_sum '[K1 Cu1 H6 Ir1]'
_cell_volume [101.6129]
_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  0.0108  0.8983  0.9790  1.0
  Cu  Cu1  1  0.3209  0.3031  0.4850  1.0
  H  H2  1  0.0140  0.7365  0.4548  1.0
  H  H3  1  0.4390  0.0112  0.2749  1.0
  H  H4  1  0.4943  0.9651  0.6917  1.0
  H  H5  1  0.4966  0.4809  0.6793  1.0
  Ir  Ir6  1  0.6071  0.7068  0.4874  1.0
  H  H7  1  0.6919  0.4609  0.2842  1.0
  H  H8  1  0.9256  0.4369  0.6637  1.0
]