data_[Al30Ru9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1633]
_cell_length_b [5.1633]
_cell_length_c [25.7684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al10Ru3]
_chemical_formula_sum '[Al30 Ru9]'
_cell_volume [594.9390]
_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
[
  Al  Al0  18  0.0012  0.5006  0.5848  1
  Al  Al1  6  0.0000  0.0000  0.3472  1
  Al  Al2  6  0.0000  0.0000  0.4528  1
  Ru  Ru3  6  0.0000  0.0000  0.1668  1
  Ru  Ru4  3  0.0000  0.0000  0.0000  1
]