data_[Ce24Ni3Ir9I12]
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
  Ir  2.2000  1.3500  0.7650
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3143]
_cell_length_b [8.3143]
_cell_length_c [23.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce8NiIr3I4]
_chemical_formula_sum '[Ce24 Ni3 Ir9 I12]'
_cell_volume [1430.9591]
_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  18  0.0014  0.5007  0.7281  1
  Ce  Ce1  6  0.0000  0.0000  0.2710  1
  Ni  Ni2  3  -0.0000  -0.0000  0.0000  1
  Ir  Ir3  9  0.0000  0.5000  0.0000  1
  I  I4  9  0.0000  0.5000  0.5000  1
  I  I5  3  -0.0000  -0.0000  0.5000  1
]