data_TaNbHgPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNbHgPb
_chemical_formula_sum   'Ta1 Nb1 Hg1 Pb1'
_cell_volume   80.26
_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
  Ta  Ta1  1  0.42  0.42  0.42  1.0
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.71  0.71  0.71  1.0
  Pb  Pb3  1  0.14  0.14  0.14  1.0

data_TaNbHgPb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaNbHgPb
_chemical_formula_sum   'Ta3 Nb3 Hg3 Pb3'
_cell_volume   240.78
_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
  Ta  Ta0  3  0.0  0.0  0.58  1.0
  Nb  Nb1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.29  1.0
  Pb  Pb3  3  0.0  0.0  0.86  1.0

Ta Nb Hg Pb
Ta Nb Hg Pb 0 3 o o + 0 3 o + o 0 3 + o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 - o o 0 2 o - o 0 2 o o - 1 3 o o o 1 2 o - - 1 2 - o - 1 2 - - o 2 3 o + + 2 3 + o + 2 3 + + o 
TaNbHgPb crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 11-coordinate geometry to three equivalent Nb(1), four equivalent Hg(1), and four equivalent Pb(1) atoms. All Ta(1)-Nb(1) bond lengths are 2.99 Å. There are three shorter (2.85 Å) and one longer (3.42 Å) Ta(1)-Hg(1) bond length. There are three shorter (2.85 Å) and one longer (3.42 Å) Ta(1)-Pb(1) bond length. Nb(1) is bonded in a single-bond geometry to three equivalent Ta(1), four equivalent Hg(1), and one Pb(1) atom. There are three shorter (2.85 Å) and one longer (3.42 Å) Nb(1)-Hg(1) bond length. The Nb(1)-Pb(1) bond length is 1.61 Å. Hg(1) is bonded in a 11-coordinate geometry to four equivalent Ta(1), four equivalent Nb(1), and three equivalent Pb(1) atoms. All Hg(1)-Pb(1) bond lengths are 2.99 Å. Pb(1) is bonded in a single-bond geometry to four equivalent Ta(1), one Nb(1), and three equivalent Hg(1) atoms.