data_MnAl2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAl2Ga
_chemical_formula_sum   'Mn1 Al2 Ga1'
_cell_volume   56.11
_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  Mn3  1  0.0  0.0  0.99  1.0
  Al  Al0  1  0.63  0.63  0.17  1.0
  Al  Al1  1  0.0  0.0  0.33  1.0
  Ga  Ga2  1  0.63  0.63  0.7  1.0

data_MnAl2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnAl2Ga
_chemical_formula_sum   'Mn2 Al4 Ga2'
_cell_volume   112.23
_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  0.99  1.0
  Al  Al1  2  0.0  0.0  0.33  1.0
  Al  Al2  2  0.13  0.5  0.17  1.0
  Ga  Ga3  2  0.13  0.5  0.7  1.0

Mn Al Al Ga
Mn Al Al Ga 0 1 - - + 0 2 o o + 0 3 o - o 0 3 - o o 0 3 - - o 1 2 + + o 1 3 o o o 1 3 o o - 2 3 - - o 
MnGaAl2 crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a 3-coordinate geometry to four equivalent Ga(1), one Al(2), and four equivalent Al(1) atoms. There are a spread of Mn(1)-Ga(1) bond distances ranging from 2.28-3.28 Å. The Mn(1)-Al(2) bond length is 1.83 Å. There are a spread of Mn(1)-Al(1) bond distances ranging from 1.95-3.06 Å. Ga(1) is bonded in a 9-coordinate geometry to four equivalent Mn(1), two equivalent Al(1), and three equivalent Al(2) atoms. There is one shorter (2.47 Å) and one longer (2.80 Å) Ga(1)-Al(1) bond length. There is one shorter (2.57 Å) and two longer (3.07 Å) Ga(1)-Al(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to four equivalent Mn(1), two equivalent Ga(1), and four equivalent Al(2) atoms. There are a spread of Al(1)-Al(2) bond distances ranging from 1.91-3.04 Å. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Mn(1), three equivalent Ga(1), and four equivalent Al(1) atoms.