data_SiAg2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   143.62
_cell_angle_beta   131.38
_cell_angle_gamma   62.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Au
_chemical_formula_sum   'Si1 Ag2 Au1'
_cell_volume   68.56
_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  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.22  0.52  1.0
  Ag  Ag1  1  0.68  0.0  0.09  1.0
  Au  Au2  1  0.0  0.0  0.61  1.0

data_SiAg2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.43
_cell_length_c   5.38
_cell_angle_alpha   114.31
_cell_angle_beta   108.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAg2Au
_chemical_formula_sum   'Si1 Ag2 Au1'
_cell_volume   68.56
_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
  Ag  Ag1  1  0.48  0.7  0.7  1.0
  Ag  Ag2  1  0.59  0.91  0.59  1.0
  Au  Au3  1  0.39  0.39  0.39  1.0

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