data_Si2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2AgAu
_chemical_formula_sum   'Si2 Ag1 Au1'
_cell_volume   66.4
_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  Si2  1  0.0  0.0  0.08  1.0
  Si  Si3  1  0.46  0.46  0.81  1.0
  Ag  Ag0  1  0.0  0.0  0.77  1.0
  Au  Au1  1  0.46  0.46  0.98  1.0

data_Si2AgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   7.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Si2AgAu
_chemical_formula_sum   'Si4 Ag2 Au2'
_cell_volume   132.81
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.08  1.0
  Si  Si1  2  0.46  0.0  0.81  1.0
  Ag  Ag2  2  0.0  0.0  0.77  1.0
  Au  Au3  2  0.46  0.0  0.98  1.0

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