data_[Ce9Y3Ir24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3928]
_cell_length_b [5.3928]
_cell_length_c [26.3971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce3YIr8]
_chemical_formula_sum '[Ce9 Y3 Ir24]'
_cell_volume [664.8379]
_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  0.5006  1.0
  Ce  Ce1  3  0.0000  0.0000  0.6250  1.0
  Ce  Ce2  3  0.0000  0.0000  0.9995  1.0
  Y  Y3  3  0.0000  0.0000  0.1249  1.0
  Ir  Ir4  9  0.0001  0.5001  0.5624  1.0
  Ir  Ir5  9  0.1671  0.3342  0.3960  1.0
  Ir  Ir6  3  0.0000  0.0000  0.3126  1.0
  Ir  Ir7  3  0.0000  0.0000  0.8123  1.0
]