data_[Ce3Ni6H24Ir3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R-3]
_cell_length_a [4.5116]
_cell_length_b [4.5116]
_cell_length_c [16.5247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [CeNi2H8Ir]
_chemical_formula_sum '[Ce3 Ni6 H24 Ir3]'
_cell_volume [291.2924]
_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
  Ni  Ni1  6  0.0000  0.0000  0.2740  1
  H  H2  18  0.0036  0.6391  0.2781  1
  H  H3  6  0.0000  0.0000  0.1804  1
  Ir  Ir4  3  0.0000  0.0000  0.0000  1
]