data_[Ce9Zn3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3572]
_cell_length_b [5.3572]
_cell_length_c [26.1939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce3ZnIr8]
_chemical_formula_sum '[Ce9 Zn3 Ir24]'
_cell_volume [651.0390]
_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  0.3771  1.0
  Ce  Ce1  3  0.0000  0.0000  0.5055  1.0
  Ce  Ce2  3  0.0000  0.0000  0.9920  1.0
  Zn  Zn3  3  0.0000  0.0000  0.8665  1.0
  Ir  Ir4  9  0.0003  0.5001  0.4389  1.0
  Ir  Ir5  9  0.0014  0.5007  0.9382  1.0
  Ir  Ir6  3  0.0000  0.0000  0.1891  1.0
  Ir  Ir7  3  0.0000  0.0000  0.6887  1.0
]