data_[Ce3Fe3H24Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.6602]
_cell_length_b [4.6602]
_cell_length_c [15.4709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CeFe(H4Ir)2]
_chemical_formula_sum '[Ce3 Fe3 H24 Ir6]'
_cell_volume [290.9689]
_cell_formula_units_Z [3]
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
[
  Ce  Ce0  3  -0.0000  -0.0000  0.5000  1
  Fe  Fe1  3  0.0000  0.0000  0.0000  1
  H  H2  18  0.0574  0.5287  0.5830  1
  H  H3  6  0.0000  0.0000  0.1832  1
  Ir  Ir4  6  0.0000  0.0000  0.2897  1
]