data_[Al12Ni6Ir3Ru3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1692]
_cell_length_b [4.1692]
_cell_length_c [20.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Al4Ni2IrRu]
_chemical_formula_sum '[Al12 Ni6 Ir3 Ru3]'
_cell_volume [307.2676]
_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  6  0.0000  0.0000  0.1260  1.0
  Al  Al1  6  0.0000  0.0000  0.3759  1.0
  Ni  Ni2  6  0.0000  0.0000  0.2503  1.0
  Ru  Ru3  3  -0.0000  -0.0000  0.5000  1.0
  Ir  Ir4  3  0.0000  0.0000  0.0000  1.0
]