data_[Cd2Ni2H12Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [4.3711]
_cell_length_b [8.6257]
_cell_length_c [4.8877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdNiH6Ir]
_chemical_formula_sum '[Cd2 Ni2 H12 Ir2]'
_cell_volume [183.3824]
_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
[
  Cd  Cd0  2  0.0000  0.9943  0.0000  1.0
  Ni  Ni1  2  0.0000  0.1541  0.5000  1.0
  H  H2  4  0.1925  0.7099  0.6866  1.0
  H  H3  4  0.2027  0.2902  0.6781  1.0
  H  H4  4  0.2450  0.5022  0.4282  1.0
  Ir  Ir5  2  0.0000  0.8531  0.5000  1.0
]