data_[Al4Ru2Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3186]
_cell_length_b [3.1402]
_cell_length_c [4.2888]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Al2RuAu]
_chemical_formula_sum '[Al4 Ru2 Au2]'
_cell_volume [120.3102]
_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  2  0.0101  0.0000  0.0641  1.0
  Al  Al1  2  0.2481  0.0000  0.7007  1.0
  Ru  Ru2  2  0.2398  0.5000  0.1801  1.0
  Au  Au3  2  0.0020  0.5000  0.5551  1.0
]