data_[Ce9Ir24Au3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.3587]
_cell_length_b [5.3587]
_cell_length_c [26.2966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ce3Ir8Au]
_chemical_formula_sum '[Ce9 Ir24 Au3]'
_cell_volume [653.9553]
_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  0.3768  1
  Ce  Ce1  3  0.0000  0.0000  0.5062  1
  Ce  Ce2  3  0.0000  0.0000  0.9922  1
  Ir  Ir3  9  0.0001  0.5001  0.4377  1
  Ir  Ir4  9  0.0023  0.5012  0.9384  1
  Ir  Ir5  3  0.0000  0.0000  0.1881  1
  Ir  Ir6  3  0.0000  0.0000  0.6880  1
  Au  Au7  3  0.0000  0.0000  0.8703  1
]