data_Al2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ru
_chemical_formula_sum   'Al4 Ru2'
_cell_volume   111.39
_cell_formula_units_Z   2
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  0.7  0.7  0.0  1.0
  Al  Al1  1  0.48  0.48  0.0  1.0
  Al  Al2  1  0.79  0.39  0.46  1.0
  Al  Al3  1  0.39  0.79  0.46  1.0
  Ru  Ru4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.09  0.09  0.46  1.0

data_Al2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.74
_cell_length_b   8.74
_cell_length_c   2.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2Ru
_chemical_formula_sum   'Al8 Ru4'
_cell_volume   222.78
_cell_formula_units_Z   4
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
  Al  Al0  4  0.09  0.3  0.46  1.0
  Al  Al1  2  0.2  0.5  -0.0  1.0
  Al  Al2  2  0.48  0.0  -0.0  1.0
  Ru  Ru3  2  0.0  0.0  0.0  1.0
  Ru  Ru4  2  0.09  0.0  0.46  1.0

Al Al Al Al Ru Ru