data_SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   3.89
_cell_length_c   4.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu
_chemical_formula_sum   'Si4 Au4'
_cell_volume   152.69
_cell_formula_units_Z   4
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  Si4  1  0.69  0.92  0.19  1.0
  Si  Si5  1  0.89  0.97  0.05  1.0
  Si  Si6  1  0.27  0.92  0.24  1.0
  Si  Si7  1  0.48  0.97  0.09  1.0
  Au  Au0  1  0.92  0.92  0.04  1.0
  Au  Au1  1  0.66  0.97  0.18  1.0
  Au  Au2  1  0.5  0.92  0.1  1.0
  Au  Au3  1  0.25  0.97  0.24  1.0

data_SiAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.89
_cell_length_b   4.28
_cell_length_c   9.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SiAu
_chemical_formula_sum   'Si4 Au4'
_cell_volume   152.69
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.47  0.05  0.61  1.0
  Si  Si1  2  0.47  0.09  0.19  1.0
  Au  Au2  2  0.47  0.9  0.84  1.0
  Au  Au3  2  0.47  0.96  0.42  1.0

Si Si Si Si Au Au Au Au