data_MnBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnBeAl2
_chemical_formula_sum   'Mn1 Be1 Al2'
_cell_volume   49.51
_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  0.5  0.5  0.01  1.0
  Be  Be2  1  0.0  0.0  0.93  1.0
  Al  Al0  1  0.0  0.0  0.32  1.0
  Al  Al1  1  0.5  0.5  0.55  1.0

data_MnBeAl2
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   MnBeAl2
_chemical_formula_sum   'Mn1 Be1 Al2'
_cell_volume   49.51
_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  0.0  0.0  0.01  1.0
  Be  Be1  1  0.5  0.5  0.93  1.0
  Al  Al2  1  0.0  0.0  0.55  1.0
  Al  Al3  1  0.5  0.5  0.32  1.0

Mn Be Al Al
Mn Be Al Al 0 1 o o - 0 1 o + - 0 1 + o - 0 1 + + - 0 3 o o - 0 3 o o o 0 2 + + o 0 2 + o o 0 2 o + o 0 2 o o o 1 2 o o + 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 3 - - o 2 3 - o o 2 3 o - o 2 3 o o o 3 3 + o o 3 3 o + o 
BeMnAl2 crystallizes in the monoclinic Cm space group. Be(1) is bonded to four equivalent Mn(1) and one Al(1) atom to form a mixture of distorted edge and corner-sharing BeMn4Al square pyramids. There are a spread of Be(1)-Mn(1) bond distances ranging from 2.15-2.18 Å. The Be(1)-Al(1) bond length is 2.15 Å. Mn(1) is bonded in a 10-coordinate geometry to four equivalent Be(1), two equivalent Al(2), and four equivalent Al(1) atoms. There is one shorter (2.57 Å) and one longer (2.95 Å) Mn(1)-Al(2) bond length. There are a spread of Mn(1)-Al(1) bond distances ranging from 2.70-2.72 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 1-coordinate geometry to one Be(1), four equivalent Mn(1), and four equivalent Al(2) atoms. There are a spread of Al(1)-Al(2) bond distances ranging from 2.46-2.48 Å. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to two equivalent Mn(1) and four equivalent Al(1) atoms.