data_[Ce24Al3Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.8201]
_cell_length_b [7.8201]
_cell_length_c [18.8020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce8AlRu6]
_chemical_formula_sum '[Ce24 Al3 Ru18]'
_cell_volume [995.7598]
_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  0.0157  0.3931  0.7864  1.0
  Ce  Ce1  6  0.0000  0.0000  0.3153  1.0
  Al  Al2  3  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  18  0.0001  0.3281  0.9549  1.0
]