data_NaHgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   145.79
_cell_angle_beta   145.79
_cell_angle_gamma   49.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHgB
_chemical_formula_sum   'Na1 Hg1 B1'
_cell_volume   57.43
_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  0.84  1.0
  Hg  Hg1  1  0.0  0.0  0.95  1.0
  B  B0  1  0.0  0.0  0.85  1.0

data_NaHgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   114.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHgB
_chemical_formula_sum   'Na2 Hg2 B2'
_cell_volume   114.86
_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  0.34  0.5  0.84  1.0
  Hg  Hg1  2  0.45  0.5  0.95  1.0
  B  B2  2  0.35  0.5  0.85  1.0

Na Hg B
Na Hg B 0 2 o o o 0 1 o o o 1 2 o o o 
NaHgB crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two NaHgB clusters. Na(1) is bonded in a single-bond geometry to one B(1) atom. The Na(1)-B(1) bond length is 0.07 Å. Hg(1) is bonded in a single-bond geometry to one B(1) atom. The Hg(1)-B(1) bond length is 0.59 Å. B(1) is bonded in a distorted single-bond geometry to one Na(1) and one Hg(1) atom.