data_AlZnRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   4.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlZnRu
_chemical_formula_sum   'Al1 Zn1 Ru1'
_cell_volume   48.27
_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  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.33  0.33  1.0
  Ru  Ru1  1  0.44  0.44  0.44  1.0

data_AlZnRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   10.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AlZnRu
_chemical_formula_sum   'Al3 Zn3 Ru3'
_cell_volume   144.82
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  Zn  Zn1  3  0.0  0.0  0.67  1.0
  Ru  Ru2  3  0.0  0.0  0.56  1.0

Al Zn Ru
Al Zn Ru 0 2 - o o 0 2 o - o 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o - 1 2 o o o 
RuZnAl is half-Heusler structured and crystallizes in the trigonal R3m space group. Ru(1) is bonded in a single-bond geometry to one Zn(1) and six equivalent Al(1) atoms. The Ru(1)-Zn(1) bond length is 1.10 Å. There are three shorter (2.61 Å) and three longer (3.24 Å) Ru(1)-Al(1) bond lengths. Zn(1) is bonded in a single-bond geometry to one Ru(1) and three equivalent Al(1) atoms. All Zn(1)-Al(1) bond lengths are 2.36 Å. Al(1) is bonded in a 9-coordinate geometry to six equivalent Ru(1) and three equivalent Zn(1) atoms.