data_[Cs1K1H6Ir1]
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
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.7913]
_cell_length_b [5.7688]
_cell_length_c [6.4113]
_cell_angle_alpha [101.7146]
_cell_angle_beta [111.6069]
_cell_angle_gamma [90.8658]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsKH6Ir]
_chemical_formula_sum '[Cs1 K1 H6 Ir1]'
_cell_volume [160.5373]
_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
[
  Cs  Cs0  1  0.9067  0.0500  0.9224  1.0
  K  K1  1  0.6395  0.6269  0.3277  1.0
  H  H2  1  0.1723  0.3994  0.3950  1.0
  H  H3  1  0.2513  0.1852  0.5888  1.0
  H  H4  1  0.2654  0.7265  0.5847  1.0
  Ir  Ir5  1  0.3097  0.4769  0.6783  1.0
  H  H6  1  0.3887  0.7025  0.9034  1.0
  H  H7  1  0.3985  0.3549  0.9026  1.0
  H  H8  1  0.6678  0.4776  0.6969  1.0
]