data_[Si3Ru3Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [2.9267]
_cell_length_b [2.9267]
_cell_length_c [25.8807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SiRuAu2]
_chemical_formula_sum '[Si3 Ru3 Au6]'
_cell_volume [191.9835]
_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
[
  Si  Si0  3  0.0000  0.0000  0.2439  1
  Ru  Ru1  3  0.0000  0.0000  0.5121  1
  Au  Au2  3  0.0000  0.0000  0.7537  1
  Au  Au3  3  0.0000  0.0000  0.9903  1
]