data_Ni2SnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   5.36
_cell_angle_alpha   102.35
_cell_angle_beta   102.35
_cell_angle_gamma   42.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnHg
_chemical_formula_sum   'Ni2 Sn1 Hg1'
_cell_volume   66.85
_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  0.75  0.0  0.15  1.0
  Ni  Ni2  1  0.11  0.0  0.07  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.43  0.0  0.61  1.0

data_Ni2SnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.35
_cell_length_c   5.36
_cell_angle_alpha   102.35
_cell_angle_beta   90.0
_cell_angle_gamma   111.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnHg
_chemical_formula_sum   'Ni2 Sn1 Hg1'
_cell_volume   66.85
_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  0.25  0.85  1.0
  Ni  Ni1  1  0.0  0.89  0.93  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Hg  Hg3  1  0.0  0.57  0.39  1.0

Ni Ni Sn Hg
Ni Ni Sn Hg 0 2 + o o 0 1 + o o 0 3 + o o 0 3 o o o 0 3 o o - 1 2 o o o 1 3 o o o 1 3 o o - 1 3 - o - 2 3 o o o 2 3 o o - 2 3 - o - 2 3 o - - 3 3 + - o 
Ni2HgSn crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to two equivalent Hg(1) and one Sn(1) atom. There is one shorter (2.93 Å) and one longer (3.08 Å) Ni(1)-Hg(1) bond length. The Ni(1)-Sn(1) bond length is 1.48 Å. In the second Ni site, Ni(2) is bonded in a single-bond geometry to two equivalent Hg(1) and one Sn(1) atom. There is one shorter (2.93 Å) and one longer (3.08 Å) Ni(2)-Hg(1) bond length. The Ni(2)-Sn(1) bond length is 0.55 Å. Hg(1) is bonded to two equivalent Ni(1), two equivalent Ni(2), two equivalent Hg(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing HgNi4Sn2Hg2 hexagonal bipyramids. Both Hg(1)-Hg(1) bond lengths are 3.16 Å. There is one shorter (2.87 Å) and one longer (3.09 Å) Hg(1)-Sn(1) bond length. Sn(1) is bonded in a distorted single-bond geometry to one Ni(1), one Ni(2), and two equivalent Hg(1) atoms.