data_SiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   3.72
_cell_angle_alpha   121.31
_cell_angle_beta   118.77
_cell_angle_gamma   89.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu
_chemical_formula_sum   'Si1 Au1'
_cell_volume   36.23
_cell_formula_units_Z   1
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  Si1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.63  1.0

data_SiAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   3.72
_cell_length_c   3.72
_cell_angle_alpha   61.23
_cell_angle_beta   60.66
_cell_angle_gamma   60.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAu
_chemical_formula_sum   'Si1 Au1'
_cell_volume   36.23
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.63  0.0  0.37  1.0

Si Au
Si Au 0 1 o o - 