data_[K8H12Ir2]
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
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [7.7954]
_cell_length_b [7.7954]
_cell_length_c [7.8467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [K4H6Ir]
_chemical_formula_sum '[K8 H12 Ir2]'
_cell_volume [476.8350]
_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
[
  K  K0  8  0.2180  0.7180  0.2500  1
  H  H1  8  0.0292  0.2162  0.5000  1
  H  H2  4  0.0000  0.0000  0.2833  1
  Ir  Ir3  2  0.0000  0.0000  0.5000  1
]