data_NaHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHg2Sb
_chemical_formula_sum   'Na1 Hg2 Sb1'
_cell_volume   101.97
_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  Na2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.37  0.0  0.27  1.0
  Hg  Hg1  1  0.0  0.37  0.27  1.0
  Sb  Sb3  1  0.37  0.37  0.0  1.0

data_NaHg2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHg2Sb
_chemical_formula_sum   'Na2 Hg4 Sb2'
_cell_volume   203.94
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Hg  Hg1  4  0.18  0.18  0.27  1.0
  Sb  Sb2  2  0.37  0.0  0.0  1.0

Na Hg Hg Sb
Na Hg Hg Sb 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
NaHg2Sb is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaHg2Sb clusters. Na(1) is bonded in a 2-coordinate geometry to two equivalent Hg(1) and one Sb(1) atom. Both Na(1)-Hg(1) bond lengths are 2.14 Å. The Na(1)-Sb(1) bond length is 2.48 Å. Hg(1) is bonded in a 1-coordinate geometry to one Na(1) and one Sb(1) atom. The Hg(1)-Sb(1) bond length is 2.14 Å. Sb(1) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent Hg(1) atoms.