data_Ni2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgTe
_chemical_formula_sum   'Ni2 Hg1 Te1'
_cell_volume   76.96
_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  0.0  0.0  0.29  1.0
  Ni  Ni2  1  0.65  0.65  0.62  1.0
  Hg  Hg0  1  0.65  0.65  0.99  1.0
  Te  Te3  1  0.0  0.0  0.76  1.0

data_Ni2HgTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2HgTe
_chemical_formula_sum   'Ni4 Hg2 Te2'
_cell_volume   153.92
_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  0.0  0.0  0.29  1.0
  Ni  Ni1  2  0.15  0.5  0.62  1.0
  Hg  Hg2  2  0.15  0.5  0.99  1.0
  Te  Te3  2  0.0  0.0  0.76  1.0

Ni Ni Hg Te
Ni Ni Hg Te 0 2 - - - 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - - o 0 1 - o o 0 1 o - o 0 0 + o o 0 0 o + o 0 3 o o o 1 3 + + o 1 2 o o o 2 3 o + o 2 3 + o o 2 3 + + o 
Ni2HgTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ni2HgTe clusters. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 1-coordinate geometry to one Hg(1) atom. The Ni(1)-Hg(1) bond length is 2.65 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Te(1) atom. The Ni(2)-Te(1) bond length is 1.93 Å. Hg(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Te(1) atom. The Hg(1)-Te(1) bond length is 2.33 Å. Te(1) is bonded in a 1-coordinate geometry to one Ni(2) and one Hg(1) atom.