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 [4.0661]
_cell_length_b [5.5984]
_cell_length_c [6.4697]
_cell_angle_alpha [76.4930]
_cell_angle_beta [89.6528]
_cell_angle_gamma [69.1121]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsNaH6Ir]
_chemical_formula_sum '[Cs1 Na1 H6 Ir1]'
_cell_volume [133.3045]
_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  0.9986  0.9045  0.9610  1
  Na  Na1  1  0.3047  0.2969  0.4357  1
  H  H2  1  0.0064  0.7490  0.4724  1
  H  H3  1  0.4673  0.9553  0.2818  1
  H  H4  1  0.4867  0.4992  0.6797  1
  H  H5  1  0.5039  0.9010  0.6612  1
  Ir  Ir6  1  0.6119  0.6988  0.4994  1
  H  H7  1  0.7043  0.5018  0.3247  1
  H  H8  1  0.9164  0.4933  0.6842  1
]