data_NiHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHgGe2
_chemical_formula_sum   'Ni1 Hg1 Ge2'
_cell_volume   76.56
_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
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.36  1.0
  Ge  Ge0  1  0.08  0.0  0.48  1.0
  Ge  Ge1  1  0.08  0.0  0.24  1.0

data_NiHgGe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NiHgGe2
_chemical_formula_sum   'Ni1 Hg1 Ge2'
_cell_volume   76.57
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Ni0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.36  1.0
  Ge  Ge2  1  0.08  0.0  0.24  1.0
  Ge  Ge3  1  0.08  0.0  0.48  1.0

Ni Hg Ge Ge
NiHgGe2 crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one NiHgGe2 cluster. Ni(1) is bonded in a single-bond geometry to one Ge(2) atom. The Ni(1)-Ge(2) bond length is 2.08 Å. Hg(1) is bonded in a bent 150 degrees geometry to one Ge(1) and one Ge(2) atom. The Hg(1)-Ge(1) bond length is 1.10 Å. The Hg(1)-Ge(2) bond length is 1.10 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a single-bond geometry to one Hg(1) atom. In the second Ge site, Ge(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Hg(1) atom.