data_[Ru6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8028]
_cell_length_b [11.8796]
_cell_length_c [6.1930]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [RuAu]
_chemical_formula_sum '[Ru6 Au6]'
_cell_volume [206.2046]
_cell_formula_units_Z [6]
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
[
  Ru  Ru0  4  0.0000  0.3841  0.8542  1
  Ru  Ru1  2  0.0000  0.0000  0.6064  1
  Au  Au2  4  0.0000  0.3140  0.3237  1
  Au  Au3  2  0.0000  0.0000  0.0357  1
]