data_MgMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.11
_cell_angle_alpha   97.53
_cell_angle_beta   97.53
_cell_angle_gamma   34.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Al
_chemical_formula_sum   'Mg1 Mn2 Al1'
_cell_volume   62.68
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.64  0.0  0.68  1.0
  Mn  Mn3  1  0.59  0.0  0.38  1.0
  Al  Al0  1  0.12  0.0  0.53  1.0

data_MgMn2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.68
_cell_length_c   5.11
_cell_angle_alpha   97.53
_cell_angle_beta   90.0
_cell_angle_gamma   107.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2Al
_chemical_formula_sum   'Mg1 Mn2 Al1'
_cell_volume   62.68
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.36  0.32  1.0
  Mn  Mn2  1  0.0  0.41  0.62  1.0
  Al  Al3  1  0.0  0.88  0.47  1.0

Mg Mn Mn Al
MgMn2Al crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Al(1) atoms. The Mg(1)-Mn(1) bond length is 2.20 Å. There is one shorter (2.53 Å) and one longer (2.69 Å) Mg(1)-Al(1) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 2-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Al(1) atoms. The Mn(1)-Mn(2) bond length is 1.50 Å. There is one shorter (2.45 Å) and one longer (2.46 Å) Mn(1)-Al(1) bond length. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) and two equivalent Al(1) atoms. There is one shorter (2.45 Å) and one longer (2.46 Å) Mn(2)-Al(1) bond length. Al(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mn(1), two equivalent Mn(2), and two equivalent Al(1) atoms. Both Al(1)-Al(1) bond lengths are 2.77 Å.