data_NiHg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   150.95
_cell_angle_beta   132.41
_cell_angle_gamma   56.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Pb
_chemical_formula_sum   'Ni1 Hg2 Pb1'
_cell_volume   87.39
_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  Ni2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.57  0.0  0.2  1.0
  Hg  Hg1  1  0.0  0.53  0.31  1.0
  Pb  Pb3  1  0.0  0.0  0.51  1.0

data_NiHg2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   5.05
_cell_length_c   6.26
_cell_angle_alpha   113.79
_cell_angle_beta   104.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiHg2Pb
_chemical_formula_sum   'Ni1 Hg2 Pb1'
_cell_volume   87.39
_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  Ni0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.2  0.63  1.0
  Hg  Hg2  1  0.47  0.79  0.79  1.0
  Pb  Pb3  1  0.0  0.51  0.51  1.0

Ni Hg Hg Pb
Ni Hg Hg Pb 0 2 o o o 0 2 o - - 1 3 + o o 2 3 o + o 
NiHg2Pb crystallizes in the triclinic P1 space group. Ni(1) is bonded in a 4-coordinate geometry to one Hg(1), two equivalent Hg(2), and one Pb(1) atom. The Ni(1)-Hg(1) bond length is 2.88 Å. There is one shorter (1.85 Å) and one longer (2.24 Å) Ni(1)-Hg(2) bond length. The Ni(1)-Pb(1) bond length is 3.19 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a single-bond geometry to one Ni(1) and one Pb(1) atom. The Hg(1)-Pb(1) bond length is 1.99 Å. In the second Hg site, Hg(2) is bonded in a 4-coordinate geometry to two equivalent Ni(1) and two equivalent Pb(1) atoms. There is one shorter (1.98 Å) and one longer (2.68 Å) Hg(2)-Pb(1) bond length. Pb(1) is bonded in a 2-coordinate geometry to one Ni(1), one Hg(1), and two equivalent Hg(2) atoms.