data_[Cs1Na1H6Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1171]
_cell_length_b [5.6569]
_cell_length_c [6.5321]
_cell_angle_alpha [76.4154]
_cell_angle_beta [89.6008]
_cell_angle_gamma [69.1283]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNaH6Ir]
_chemical_formula_sum '[Cs1 Na1 H6 Ir1]'
_cell_volume [137.6823]
_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  0.9988  0.9041  0.9609  1.0
  Na  Na1  1  0.3048  0.2968  0.4362  1.0
  H  H2  1  0.0020  0.7485  0.4725  1.0
  H  H3  1  0.4688  0.9533  0.2838  1.0
  H  H4  1  0.4882  0.5012  0.6777  1.0
  H  H5  1  0.5052  0.8994  0.6598  1.0
  Ir  Ir6  1  0.6142  0.6985  0.4997  1.0
  H  H7  1  0.7041  0.5033  0.3269  1.0
  H  H8  1  0.9140  0.4947  0.6827  1.0
]