data_Y2AlZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2AlZn
_chemical_formula_sum   'Y2 Al1 Zn1'
_cell_volume   93.46
_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
  Y  Y0  1  0.8  0.8  0.8  1.0
  Y  Y1  1  0.4  0.4  0.4  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.6  0.6  0.6  1.0

data_Y2AlZn
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   12.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Y2AlZn
_chemical_formula_sum   'Y6 Al3 Zn3'
_cell_volume   280.39
_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
  Y  Y0  3  0.0  0.0  0.2  1.0
  Y  Y1  3  0.0  0.0  0.6  1.0
  Al  Al2  3  0.0  0.0  0.0  1.0
  Zn  Zn3  3  0.0  0.0  0.4  1.0

Y Y Al Zn
Y Y Al Zn 0 3 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 + + + 0 2 + + o 0 2 o + + 0 2 + o + 1 3 o - o 1 3 - o o 1 3 o o - 1 3 o o o 1 2 o o + 1 2 o + o 1 2 + o o 2 3 - - o 2 3 - o - 2 3 o - - 
Y2ZnAl is Copper structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three Y2ZnAl clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a linear geometry to one Zn(1) and one Al(1) atom. The Y(1)-Zn(1) bond length is 2.48 Å. The Y(1)-Al(1) bond length is 2.48 Å. In the second Y site, Y(2) is bonded in a 1-coordinate geometry to one Zn(1) atom. The Y(2)-Zn(1) bond length is 2.48 Å. Zn(1) is bonded in a linear geometry to one Y(1) and one Y(2) atom. Al(1) is bonded in a 1-coordinate geometry to one Y(1) atom.