data_MnAlIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   151.18
_cell_angle_beta   151.18
_cell_angle_gamma   41.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAlIr
_chemical_formula_sum   'Mn1 Al1 Ir1'
_cell_volume   39.78
_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
  Mn  Mn2  1  0.0  0.0  0.95  1.0
  Al  Al0  1  0.0  0.0  0.02  1.0
  Ir  Ir1  1  0.0  0.0  0.43  1.0

data_MnAlIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   110.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAlIr
_chemical_formula_sum   'Mn2 Al2 Ir2'
_cell_volume   79.56
_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
  Mn  Mn0  2  0.0  0.0  0.05  1.0
  Al  Al1  2  0.0  0.0  0.98  1.0
  Ir  Ir2  2  0.0  0.0  0.57  1.0

Mn Al Ir
Mn Al Ir 0 1 o o + 0 2 o o + 0 2 o o o 1 2 o - - 1 2 - o - 1 2 o o o 2 2 + o + 2 2 o + + 
IrMnAl crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrMnAl clusters. Mn(1) is bonded in a single-bond geometry to one Al(1) atom. The Mn(1)-Al(1) bond length is 0.39 Å. Ir(1) is bonded in a 1-coordinate geometry to one Al(1) atom. The Ir(1)-Al(1) bond length is 2.26 Å. Al(1) is bonded in a distorted single-bond geometry to one Mn(1) and one Ir(1) atom.