data_[Al2Ni2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1478]
_cell_length_b [4.1478]
_cell_length_c [5.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AlNiRu]
_chemical_formula_sum '[Al2 Ni2 Ru2]'
_cell_volume [76.1559]
_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  1  0.3333  0.6667  0.7799  1.0
  Al  Al1  1  0.6667  0.3333  0.4305  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0989  1.0
  Ni  Ni3  1  0.6667  0.3333  0.9360  1.0
  Ru  Ru4  1  0.0000  0.0000  0.6140  1.0
  Ru  Ru5  1  0.3333  0.6667  0.2661  1.0
]