data_[Na2H8Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P2_1/c]
_cell_length_a [5.2926]
_cell_length_b [4.3656]
_cell_length_c [4.4334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaH4Ir]
_chemical_formula_sum '[Na2 H8 Ir2]'
_cell_volume [102.2384]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  H  H1  4  0.1858  0.5453  0.9751  1
  H  H2  4  0.3900  0.1710  0.8175  1
  Ir  Ir3  2  0.5000  0.0000  0.5000  1
]