data_NaMn2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.52
_cell_angle_alpha   97.58
_cell_angle_beta   97.58
_cell_angle_gamma   34.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Al
_chemical_formula_sum   'Na1 Mn2 Al1'
_cell_volume   69.62
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.61  0.0  1.0  1.0
  Mn  Mn2  1  0.64  0.0  0.47  1.0
  Al  Al0  1  0.13  0.0  0.73  1.0

data_NaMn2Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.72
_cell_length_c   5.52
_cell_angle_alpha   97.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMn2Al
_chemical_formula_sum   'Na1 Mn2 Al1'
_cell_volume   69.62
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.36  0.53  1.0
  Mn  Mn2  1  0.0  0.39  0.0  1.0
  Al  Al3  1  0.0  0.87  0.27  1.0

Na Mn Mn Al
NaMn2Al crystallizes in the triclinic P1 space group. Na(1) is bonded in a bent 120 degrees geometry to one Mn(1), two equivalent Mn(2), and one Al(1) atom. The Na(1)-Mn(1) bond length is 1.83 Å. There is one shorter (3.27 Å) and one longer (3.70 Å) Na(1)-Mn(2) bond length. The Na(1)-Al(1) bond length is 1.66 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Na(1) and two equivalent Mn(2) atoms. There is one shorter (2.58 Å) and one longer (2.94 Å) Mn(1)-Mn(2) bond length. In the second Mn site, Mn(2) is bonded in a 9-coordinate geometry to two equivalent Na(1), two equivalent Mn(1), two equivalent Mn(2), and three equivalent Al(1) atoms. Both Mn(2)-Mn(2) bond lengths are 2.83 Å. There are a spread of Mn(2)-Al(1) bond distances ranging from 2.56-3.26 Å. Al(1) is bonded in a single-bond geometry to one Na(1) and three equivalent Mn(2) atoms.