data_Al2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.44
_cell_length_b   11.44
_cell_length_c   11.44
_cell_angle_alpha   160.18
_cell_angle_beta   160.18
_cell_angle_gamma   28.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ru
_chemical_formula_sum   'Al8 Ru4'
_cell_volume   172.22
_cell_formula_units_Z   4
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  0.0  0.97  0.01  1.0
  Al  Al1  1  0.0  0.97  0.09  1.0
  Al  Al2  1  0.0  0.0  0.66  1.0
  Al  Al3  1  0.0  0.0  0.54  1.0
  Al  Al4  1  0.97  0.0  0.49  1.0
  Al  Al5  1  0.97  0.0  0.61  1.0
  Al  Al6  1  0.0  0.0  0.04  1.0
  Al  Al7  1  0.0  0.0  0.16  1.0
  Ru  Ru8  1  0.0  0.97  0.93  1.0
  Ru  Ru9  1  0.0  0.97  0.17  1.0
  Ru  Ru10  1  0.0  0.0  0.59  1.0
  Ru  Ru11  1  0.0  0.0  0.62  1.0

data_Al2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   11.44
_cell_angle_alpha   99.91
_cell_angle_beta   99.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Ru
_chemical_formula_sum   'Al8 Ru4'
_cell_volume   172.22
_cell_formula_units_Z   4
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  0.34  0.0  0.34  1.0
  Al  Al1  1  0.39  0.0  0.36  1.0
  Al  Al2  1  0.46  0.0  0.46  1.0
  Al  Al3  1  0.51  0.0  0.48  1.0
  Al  Al4  1  0.84  0.0  0.84  1.0
  Al  Al5  1  0.88  0.97  0.88  1.0
  Al  Al6  1  0.96  0.0  0.96  1.0
  Al  Al7  1  0.96  0.97  0.96  1.0
  Ru  Ru8  1  0.03  0.97  0.03  1.0
  Ru  Ru9  1  0.38  0.0  0.38  1.0
  Ru  Ru10  1  0.41  0.0  0.41  1.0
  Ru  Ru11  1  0.8  0.97  0.8  1.0

Al Al Al Al Al Al Al Al Ru Ru Ru Ru