data_Ni3HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3HgOs
_chemical_formula_sum   'Ni3 Hg1 Os1'
_cell_volume   98.08
_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  0.31  0.0  0.31  1.0
  Ni  Ni1  1  0.31  0.31  0.0  1.0
  Ni  Ni2  1  0.0  0.31  0.31  1.0
  Hg  Hg4  1  0.31  0.31  0.31  1.0
  Os  Os3  1  0.0  0.0  0.0  1.0

data_Ni3HgOs
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ni3HgOs
_chemical_formula_sum   'Ni9 Hg3 Os3'
_cell_volume   294.25
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.1  0.2  0.2  1.0
  Hg  Hg1  3  0.0  0.0  0.31  1.0
  Os  Os2  3  0.0  0.0  0.0  1.0

Ni Ni Ni Hg Os
Ni Ni Ni Hg Os 0 3 o o o 0 4 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 4 o o o 
OsNi3Hg is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three OsNi3Hg clusters. Os(1) is bonded in a 3-coordinate geometry to three equivalent Ni(1) atoms. All Os(1)-Ni(1) bond lengths are 1.99 Å. Ni(1) is bonded in a distorted L-shaped geometry to one Os(1) and one Hg(1) atom. The Ni(1)-Hg(1) bond length is 1.41 Å. Hg(1) is bonded in a distorted T-shaped geometry to three equivalent Ni(1) atoms.