data_[Ce24Al3Ga18]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3261]
_cell_length_b [8.3261]
_cell_length_c [18.4428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ce8AlGa6]
_chemical_formula_sum '[Ce24 Al3 Ga18]'
_cell_volume [1107.2314]
_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  0.0062  0.6934  0.5390  1
  Ce  Ce1  6  0.0000  0.0000  0.3341  1
  Al  Al2  3  0.0000  0.0000  0.0000  1
  Ga  Ga3  18  0.0114  0.3089  0.9566  1
]