data_Y3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   5.97
_cell_angle_alpha   133.69
_cell_angle_beta   133.69
_cell_angle_gamma   67.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Al
_chemical_formula_sum   'Y3 Al1'
_cell_volume   109.18
_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  Y1  1  0.0  0.0  0.96  1.0
  Y  Y2  1  0.0  0.35  0.48  1.0
  Y  Y3  1  0.35  0.0  0.48  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Y3Al
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   123.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y3Al
_chemical_formula_sum   'Y6 Al2'
_cell_volume   218.36
_cell_formula_units_Z   2
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
  Y  Y0  4  0.19  0.33  0.87  1.0
  Y  Y1  2  0.04  0.0  0.04  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0

Y Y Y Al
Y3Al is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y3Al clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Al(1) atom. The Y(1)-Al(1) bond length is 0.25 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Al(1) atom. The Y(2)-Al(1) bond length is 2.07 Å. Al(1) is bonded in a single-bond geometry to one Y(1) and two equivalent Y(2) atoms.