data_AgRu2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   4.3
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRu2Au
_chemical_formula_sum   'Ag1 Ru2 Au1'
_cell_volume   63.99
_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  0.0  1.0
  Ru  Ru2  1  0.36  0.15  0.09  1.0
  Ru  Ru3  1  0.36  0.15  0.36  1.0
  Au  Au1  1  0.0  0.0  0.73  1.0

data_AgRu2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.3
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgRu2Au
_chemical_formula_sum   'Ag1 Ru2 Au1'
_cell_volume   63.99
_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  0.0  1.0
  Ru  Ru1  1  0.36  0.15  0.09  1.0
  Ru  Ru2  1  0.36  0.15  0.36  1.0
  Au  Au3  1  0.0  0.0  0.73  1.0

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