data_[Si2Ru2Au4]
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 [Cm]
_cell_length_a [8.1902]
_cell_length_b [3.2985]
_cell_length_c [5.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiRuAu2]
_chemical_formula_sum '[Si2 Ru2 Au4]'
_cell_volume [135.0347]
_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
[
  Si  Si0  2  0.2558  0.0000  0.6324  1
  Ru  Ru1  2  0.0491  0.5000  0.6211  1
  Au  Au2  2  0.2448  0.5000  0.2643  1
  Au  Au3  2  0.4503  0.5000  0.9823  1
]