data_[As2Ru4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.2662]
_cell_length_b [2.9027]
_cell_length_c [4.8559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AsRu2Au]
_chemical_formula_sum '[As2 Ru4 Au2]'
_cell_volume [127.9254]
_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
[
  As  As0  2  0.0154  0.5000  0.5521  1
  Ru  Ru1  2  0.2487  0.0000  0.7568  1
  Ru  Ru2  2  0.4889  0.5000  0.9520  1
  Au  Au3  2  0.2470  0.5000  0.2392  1
]