data_Y4Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   99.05
_cell_angle_beta   99.05
_cell_angle_gamma   133.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Al
_chemical_formula_sum   'Y4 Al1'
_cell_volume   141.18
_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  0.04  0.59  0.0  1.0
  Y  Y2  1  0.59  0.69  0.0  1.0
  Y  Y3  1  0.82  0.27  0.36  1.0
  Y  Y4  1  0.27  0.18  0.36  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0

data_Y4Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   80.95
_cell_angle_beta   66.64
_cell_angle_gamma   66.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Al
_chemical_formula_sum   'Y4 Al1'
_cell_volume   141.18
_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  Y0  1  0.59  0.0  0.45  1.0
  Y  Y1  1  0.69  0.0  0.91  1.0
  Y  Y2  1  0.82  0.36  0.09  1.0
  Y  Y3  1  0.91  0.36  0.55  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0

Y Y Y Y Al
Y Y Y Y Al 0 4 o + o 0 4 o o o 0 3 o + o 0 1 - o o 0 1 o o o 0 2 - o o 0 2 o + o 0 2 - o - 1 4 + + o 1 2 o + o 2 3 o o o 2 3 + o o 2 4 + o o 3 4 o o o 
Y4Al crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to three equivalent Y(3) and one Al(1) atom. There are a spread of Y(1)-Y(3) bond distances ranging from 2.96-3.54 Å. The Y(1)-Al(1) bond length is 2.61 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Y(3) and one Al(1) atom. The Y(2)-Y(3) bond length is 2.97 Å. The Y(2)-Al(1) bond length is 1.77 Å. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one Y(2), two equivalent Y(4), three equivalent Y(1), and one Al(1) atom. There is one shorter (2.92 Å) and one longer (3.10 Å) Y(3)-Y(4) bond length. The Y(3)-Al(1) bond length is 3.22 Å. In the fourth Y site, Y(4) is bonded in a single-bond geometry to two equivalent Y(3) and one Al(1) atom. The Y(4)-Al(1) bond length is 2.05 Å. Al(1) is bonded in a 2-coordinate geometry to one Y(1), one Y(2), one Y(3), and one Y(4) atom.