data_Al2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.41
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbRu
_chemical_formula_sum   'Al2 Sb1 Ru1'
_cell_volume   72.02
_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
  Al  Al0  1  0.39  0.2  0.85  1.0
  Al  Al1  1  0.52  0.2  0.11  1.0
  Sb  Sb3  1  0.96  0.0  0.48  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Al2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.41
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2SbRu
_chemical_formula_sum   'Al2 Sb1 Ru1'
_cell_volume   72.02
_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
  Al  Al0  1  0.39  0.2  0.85  1.0
  Al  Al1  1  0.52  0.2  0.11  1.0
  Sb  Sb2  1  0.96  0.0  0.48  1.0
  Ru  Ru3  1  0.0  0.0  0.0  1.0

Al Al Sb Ru
Al Al Sb Ru 0 1 o o + 0 2 - o o 0 3 + o + 0 3 o o + 1 2 o o o 1 3 + o o 1 3 o o o 2 3 + o o 2 3 + o + 