data_YMnAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   119.56
_cell_angle_beta   119.04
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAl
_chemical_formula_sum   'Y2 Mn2 Al2'
_cell_volume   116.45
_cell_formula_units_Z   2
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  0.75  0.39  0.08  1.0
  Y  Y1  1  0.0  0.39  0.75  1.0
  Mn  Mn2  1  0.37  0.39  0.91  1.0
  Mn  Mn3  1  0.63  0.39  0.91  1.0
  Al  Al4  1  0.0  0.0  0.0  1.0
  Al  Al5  1  0.0  0.77  0.0  1.0

data_YMnAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   91.21
_cell_angle_beta   119.04
_cell_angle_gamma   119.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnAl
_chemical_formula_sum   'Y2 Mn2 Al2'
_cell_volume   116.45
_cell_formula_units_Z   2
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  0.25  0.61  0.0  1.0
  Y  Y1  1  0.92  0.61  0.25  1.0
  Mn  Mn2  1  0.09  0.61  0.37  1.0
  Mn  Mn3  1  0.09  0.61  0.63  1.0
  Al  Al4  1  -0.0  0.23  0.0  1.0
  Al  Al5  1  0.0  0.0  0.0  1.0

Y Y Mn Mn Al Al
YMnAl is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YMnAl cluster. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Mn(2) and one Al(1) atom. The Y(1)-Mn(2) bond length is 0.82 Å. The Y(1)-Al(1) bond length is 2.51 Å. In the second Y site, Y(2) is bonded in a distorted water-like geometry to one Mn(1) and one Al(2) atom. The Y(2)-Mn(1) bond length is 1.79 Å. The Y(2)-Al(2) bond length is 1.86 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to one Y(2) atom. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Y(1) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 2-coordinate geometry to one Y(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 1.25 Å. In the second Al site, Al(2) is bonded in a 2-coordinate geometry to one Y(2) and one Al(1) atom.