data_[Cd4Ni2H12Ir2]
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/m]
_cell_length_a [8.0314]
_cell_length_b [5.2342]
_cell_length_c [4.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0204]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cd2NiH6Ir]
_chemical_formula_sum '[Cd4 Ni2 H12 Ir2]'
_cell_volume [179.9848]
_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  4  0.2437  0.0000  0.2522  1
  Ni  Ni1  2  0.0000  0.0000  0.5000  1
  H  H2  8  0.0079  0.2547  0.7512  1
  H  H3  4  0.2483  0.5000  0.2551  1
  Ir  Ir4  2  0.0000  0.5000  0.0000  1
]