data_Ni2HgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgSb
_chemical_formula_sum   'Ni2 Hg1 Sb1'
_cell_volume   65.0
_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
  Ni  Ni1  1  0.6  0.6  0.88  1.0
  Ni  Ni2  1  0.6  0.6  0.44  1.0
  Hg  Hg0  1  0.0  0.0  0.16  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Ni2HgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2HgSb
_chemical_formula_sum   'Ni4 Hg2 Sb2'
_cell_volume   130.0
_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
  Ni  Ni0  2  0.1  0.5  0.44  1.0
  Ni  Ni1  2  0.1  0.5  0.88  1.0
  Hg  Hg2  2  0.0  0.0  0.16  1.0
  Sb  Sb3  2  0.0  0.0  0.0  1.0

Ni Ni Hg Sb
Ni Ni Hg Sb 0 3 o + + 0 3 + o + 0 3 + + + 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 1 3 + + o 2 3 o o o 
Ni2HgSb crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Ni(2) and four equivalent Sb(1) atoms. The Ni(1)-Ni(2) bond length is 2.83 Å. There are a spread of Ni(1)-Sb(1) bond distances ranging from 1.94-2.84 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent Hg(1) atoms. There is one shorter (2.51 Å) and two longer (2.90 Å) Ni(2)-Hg(1) bond lengths. Hg(1) is bonded in a single-bond geometry to three equivalent Ni(2) and one Sb(1) atom. The Hg(1)-Sb(1) bond length is 1.01 Å. Sb(1) is bonded in a 1-coordinate geometry to four equivalent Ni(1) and one Hg(1) atom.