data_NaAl2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.9
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   98.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Hg
_chemical_formula_sum   'Na1 Al2 Hg1'
_cell_volume   85.56
_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
  Al  Al0  1  0.71  0.45  0.44  1.0
  Al  Al1  1  0.65  0.45  0.06  1.0
  Hg  Hg2  1  0.18  0.0  0.75  1.0

data_NaAl2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.9
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   98.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAl2Hg
_chemical_formula_sum   'Na1 Al2 Hg1'
_cell_volume   85.56
_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
  Al  Al1  1  0.65  0.45  0.06  1.0
  Al  Al2  1  0.71  0.45  0.44  1.0
  Hg  Hg3  1  0.18  0.0  0.75  1.0

Na Al Al Hg
NaHgAl2 crystallizes in the triclinic P1 space group. Na(1) is bonded in a distorted single-bond geometry to one Hg(1) and four equivalent Al(2) atoms. The Na(1)-Hg(1) bond length is 1.59 Å. There are a spread of Na(1)-Al(2) bond distances ranging from 2.51-3.39 Å. Hg(1) is bonded in a single-bond geometry to one Na(1), one Al(1), and one Al(2) atom. The Hg(1)-Al(1) bond length is 3.05 Å. The Hg(1)-Al(2) bond length is 3.05 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a bent 120 degrees geometry to one Hg(1) and one Al(2) atom. The Al(1)-Al(2) bond length is 2.10 Å. In the second Al site, Al(2) is bonded in a 6-coordinate geometry to four equivalent Na(1), one Hg(1), and one Al(1) atom.