data_DyAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyAl3
_chemical_formula_sum   'Dy4 Al12'
_cell_volume   309.26
_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
  Dy  Dy12  1  0.0  0.0  0.0  1.0
  Dy  Dy13  1  0.0  0.53  0.39  1.0
  Dy  Dy14  1  0.0  0.0  0.78  1.0
  Dy  Dy15  1  0.06  0.76  0.17  1.0
  Al  Al0  1  0.06  0.0  0.0  1.0
  Al  Al1  1  0.47  0.65  0.0  1.0
  Al  Al2  1  0.53  0.65  0.0  1.0
  Al  Al3  1  0.68  0.97  0.39  1.0
  Al  Al4  1  0.44  0.97  0.39  1.0
  Al  Al5  1  0.06  0.36  0.39  1.0
  Al  Al6  1  0.06  0.0  0.78  1.0
  Al  Al7  1  0.47  0.65  0.78  1.0
  Al  Al8  1  0.53  0.65  0.78  1.0
  Al  Al9  1  0.0  0.94  0.17  1.0
  Al  Al10  1  0.62  0.33  0.17  1.0
  Al  Al11  1  0.38  0.33  0.17  1.0

data_DyAl3
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyAl3
_chemical_formula_sum   'Dy4 Al12'
_cell_volume   309.26
_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
  Dy  Dy0  1  0.0  0.0  0.0  1.0
  Dy  Dy1  1  0.0  0.0  0.78  1.0
  Dy  Dy2  1  0.0  0.53  0.39  1.0
  Dy  Dy3  1  0.06  0.76  0.17  1.0
  Al  Al4  1  0.0  0.94  0.17  1.0
  Al  Al5  1  0.06  0.0  0.0  1.0
  Al  Al6  1  0.06  0.0  0.78  1.0
  Al  Al7  1  0.06  0.36  0.39  1.0
  Al  Al8  1  0.38  0.33  0.17  1.0
  Al  Al9  1  0.44  0.97  0.39  1.0
  Al  Al10  1  0.47  0.65  -0.0  1.0
  Al  Al11  1  0.47  0.65  0.78  1.0
  Al  Al12  1  0.53  0.65  -0.0  1.0
  Al  Al13  1  0.53  0.65  0.78  1.0
  Al  Al14  1  0.62  0.33  0.17  1.0
  Al  Al15  1  0.68  0.97  0.39  1.0

Dy Dy Dy Dy Al Al Al Al Al Al Al Al Al Al Al Al
Al3Dy crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two aluminium--dysprosium (1/1) molecules, two aluminum molecules, and one Al3Dy cluster. In the Al3Dy cluster, there are two inequivalent Dy sites. In the first Dy site, Dy(2) is bonded in a distorted single-bond geometry to one Al(11), one Al(5), and one Al(6) atom. The Dy(2)-Al(11) bond length is 2.92 Å. The Dy(2)-Al(5) bond length is 2.68 Å. The Dy(2)-Al(6) bond length is 1.25 Å. In the second Dy site, Dy(4) is bonded in a single-bond geometry to one Al(10), one Al(11), and one Al(5) atom. The Dy(4)-Al(10) bond length is 1.25 Å. The Dy(4)-Al(11) bond length is 2.68 Å. The Dy(4)-Al(5) bond length is 2.92 Å. There are six inequivalent Al sites. In the first Al site, Al(4) is bonded in a 1-coordinate geometry to one Al(5) atom. The Al(4)-Al(5) bond length is 1.46 Å. In the second Al site, Al(5) is bonded in a 3-coordinate geometry to one Dy(2), one Dy(4), and one Al(4) atom. In the third Al site, Al(6) is bonded in a single-bond geometry to one Dy(2) atom. In the fourth Al site, Al(10) is bonded in a distorted single-bond geometry to one Dy(4) atom. In the fifth Al site, Al(11) is bonded in a 3-coordinate geometry to one Dy(2), one Dy(4), and one Al(12) atom. The Al(11)-Al(12) bond length is 1.46 Å. In the sixth Al site, Al(12) is bonded in a distorted single-bond geometry to one Al(11) atom.