data_[Al34Ru24]
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 [I-43m]
_cell_length_a [9.4889]
_cell_length_b [9.4889]
_cell_length_c [9.4889]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [Al17Ru12]
_chemical_formula_sum '[Al34 Ru24]'
_cell_volume [854.3672]
_cell_formula_units_Z [2]
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  24  0.0972  0.0972  0.6976  1
  Al  Al1  8  0.1869  0.1869  0.1869  1
  Al  Al2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  24  0.0565  0.3595  0.6405  1
]