data_Mn2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2AlNi
_chemical_formula_sum   'Mn2 Al1 Ni1'
_cell_volume   51.23
_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  0.36  0.36  0.83  1.0
  Mn  Mn2  1  0.36  0.36  0.13  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.48  1.0

data_Mn2AlNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2AlNi
_chemical_formula_sum   'Mn4 Al2 Ni2'
_cell_volume   102.45
_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  0.36  0.0  0.13  1.0
  Mn  Mn1  2  0.36  0.0  0.83  1.0
  Al  Al2  2  0.0  0.0  0.0  1.0
  Ni  Ni3  2  0.0  0.0  0.48  1.0

Mn Mn Al Ni
Mn2NiAl crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 1-coordinate geometry to three equivalent Ni(1) and one Al(1) atom. There is one shorter (2.79 Å) and two longer (3.14 Å) Mn(1)-Ni(1) bond lengths. The Mn(1)-Al(1) bond length is 1.81 Å. In the second Mn site, Mn(2) is bonded in a 1-coordinate geometry to three equivalent Ni(1) and one Al(1) atom. There is one shorter (2.79 Å) and two longer (3.14 Å) Mn(2)-Ni(1) bond lengths. The Mn(2)-Al(1) bond length is 1.64 Å. Ni(1) is bonded in a 10-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), and four equivalent Ni(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.71 Å. Al(1) is bonded in a 2-coordinate geometry to one Mn(1) and one Mn(2) atom.