data_Al2RuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2RuSe
_chemical_formula_sum   'Al2 Ru1 Se1'
_cell_volume   62.25
_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  0.41  0.8  0.54  1.0
  Al  Al1  1  0.41  0.2  0.54  1.0
  Ru  Ru2  1  0.81  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Al2RuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   103.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2RuSe
_chemical_formula_sum   'Al2 Ru1 Se1'
_cell_volume   62.25
_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  0.54  0.41  0.2  1.0
  Al  Al1  1  0.54  0.41  0.8  1.0
  Ru  Ru2  1  0.0  0.81  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Al Al Ru Se
RuAl2Se crystallizes in the triclinic P1 space group. Ru(1) is bonded in a distorted single-bond geometry to two equivalent Al(1), two equivalent Al(2), and one Se(1) atom. There is one shorter (2.34 Å) and one longer (2.49 Å) Ru(1)-Al(1) bond length. There is one shorter (2.67 Å) and one longer (2.80 Å) Ru(1)-Al(2) bond length. The Ru(1)-Se(1) bond length is 0.85 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent Al(2), and two equivalent Se(1) atoms. There is one shorter (1.83 Å) and one longer (2.74 Å) Al(1)-Al(2) bond length. There is one shorter (2.67 Å) and one longer (2.80 Å) Al(1)-Se(1) bond length. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to two equivalent Ru(1), two equivalent Al(1), and two equivalent Se(1) atoms. There is one shorter (2.34 Å) and one longer (2.49 Å) Al(2)-Se(1) bond length. Se(1) is bonded in a distorted single-bond geometry to one Ru(1), two equivalent Al(1), and two equivalent Al(2) atoms.