data_[Si6Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5190]
_cell_length_b [3.3835]
_cell_length_c [6.2149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6687]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiAu]
_chemical_formula_sum '[Si6 Au6]'
_cell_volume [216.4536]
_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
[
  Si  Si0  2  0.0096  0.5000  0.6031  1
  Si  Si1  2  0.2621  0.0000  0.8985  1
  Si  Si2  2  0.3349  0.5000  0.5067  1
  Au  Au3  2  0.1332  0.0000  0.4554  1
  Au  Au4  2  0.1591  0.5000  0.0655  1
  Au  Au5  2  0.4344  0.5000  0.9708  1
]