data_[Ce24Ir9Rh3Br12]
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
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2302]
_cell_length_b [8.2302]
_cell_length_c [22.9784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce8Ir3RhBr4]
_chemical_formula_sum '[Ce24 Ir9 Rh3 Br12]'
_cell_volume [1347.9564]
_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  0.0016  0.5008  0.2675  1.0
  Ce  Ce1  6  0.0000  0.0000  0.2679  1.0
  Ir  Ir2  9  0.0000  0.5000  0.0000  1.0
  Rh  Rh3  3  0.0000  0.0000  0.0000  1.0
  Br  Br4  9  0.0000  0.5000  0.5000  1.0
  Br  Br5  3  -0.0000  -0.0000  0.5000  1.0
]