data_Mn2AlMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlMo
_chemical_formula_sum   'Mn2 Al1 Mo1'
_cell_volume   51.54
_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  Mn1  1  0.49  0.49  0.47  1.0
  Mn  Mn2  1  0.49  0.49  0.33  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.9  1.0

data_Mn2AlMo
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Mn2AlMo
_chemical_formula_sum   'Mn2 Al1 Mo1'
_cell_volume   51.54
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  1  0.5  0.5  0.33  1.0
  Mn  Mn1  1  0.5  0.5  0.47  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.9  1.0

Mn Mn Al Mo
(Mn)2MoAl is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two manganese molecules and two MoAl clusters. In each MoAl cluster, Mo(1) is bonded in a single-bond geometry to one Al(1) atom. The Mo(1)-Al(1) bond length is 0.58 Å. Al(1) is bonded in a single-bond geometry to one Mo(1) atom.