data_Ag2RuAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.83
_cell_length_b   9.83
_cell_length_c   9.83
_cell_angle_alpha   16.57
_cell_angle_beta   16.57
_cell_angle_gamma   16.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2RuAu
_chemical_formula_sum   'Ag2 Ru1 Au1'
_cell_volume   67.39
_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
  Ag  Ag0  1  0.0  0.0  0.74  1.0
  Ag  Ag1  1  0.0  0.0  0.34  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.0  0.54  1.0

data_Ag2RuAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   2.83
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   99.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2RuAu
_chemical_formula_sum   'Ag4 Ru2 Au2'
_cell_volume   134.77
_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
  Ag  Ag0  2  0.0  0.0  0.26  1.0
  Ag  Ag1  2  0.0  0.0  0.66  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.46  1.0

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