data_SiAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   4.34
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   105.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgAu2
_chemical_formula_sum   'Si1 Ag1 Au2'
_cell_volume   69.77
_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  Si3  1  0.74  0.0  0.72  1.0
  Ag  Ag0  1  0.19  0.17  0.93  1.0
  Au  Au1  1  0.7  0.0  0.32  1.0
  Au  Au2  1  0.71  0.17  0.42  1.0

data_SiAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.34
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   105.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgAu2
_chemical_formula_sum   'Si1 Ag1 Au2'
_cell_volume   69.77
_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  0.74  0.0  0.72  1.0
  Ag  Ag1  1  0.19  0.17  0.93  1.0
  Au  Au2  1  0.7  0.0  0.32  1.0
  Au  Au3  1  0.71  0.17  0.42  1.0

Si Ag Au Au
Si Ag Au Au 0 3 o o o 0 1 + o o 2 3 o o o 