data_HfMnAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   133.12
_cell_angle_beta   133.12
_cell_angle_gamma   68.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnAl2
_chemical_formula_sum   'Hf1 Mn1 Al2'
_cell_volume   63.31
_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
  Hf  Hf2  1  0.0  0.0  0.09  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.97  0.0  0.04  1.0
  Al  Al1  1  0.0  0.97  0.04  1.0

data_HfMnAl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   124.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnAl2
_chemical_formula_sum   'Hf2 Mn2 Al4'
_cell_volume   126.62
_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
  Hf  Hf0  2  0.41  0.5  0.91  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Al  Al2  4  0.44  0.48  0.92  1.0

Hf Mn Al Al
Hf Mn Al Al 0 2 - o o 0 3 o - o 1 2 - o o 1 3 o - o 2 3 + - o 
HfMnAl2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two HfMnAl2 clusters. Hf(1) is bonded in a 2-coordinate geometry to two equivalent Al(1) atoms. Both Hf(1)-Al(1) bond lengths are 0.16 Å. Mn(1) is bonded in a 2-coordinate geometry to two equivalent Al(1) atoms. Both Mn(1)-Al(1) bond lengths are 0.35 Å. Al(1) is bonded in a 3-coordinate geometry to one Hf(1), one Mn(1), and one Al(1) atom. The Al(1)-Al(1) bond length is 0.18 Å.