data_ScRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   4.35
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRuAu2
_chemical_formula_sum   'Sc1 Ru1 Au2'
_cell_volume   69.41
_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
  Sc  Sc3  1  0.31  0.0  0.79  1.0
  Ru  Ru2  1  0.36  0.18  0.59  1.0
  Au  Au0  1  0.18  0.18  0.33  1.0
  Au  Au1  1  0.12  0.0  0.91  1.0

data_ScRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.35
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScRuAu2
_chemical_formula_sum   'Sc1 Ru1 Au2'
_cell_volume   69.41
_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
  Sc  Sc0  1  0.31  0.0  0.79  1.0
  Ru  Ru1  1  0.36  0.18  0.59  1.0
  Au  Au2  1  0.12  0.0  0.91  1.0
  Au  Au3  1  0.18  0.18  0.33  1.0

Sc Ru Au Au
Sc Ru Au Au 0 3 o o o 0 1 o o o 1 2 o o o 