data_TaVHgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaVHgAu
_chemical_formula_sum   'Ta1 V1 Hg1 Au1'
_cell_volume   71.04
_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  Ta2  1  0.29  0.29  0.29  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.64  0.64  0.64  1.0
  Au  Au0  1  0.93  0.93  0.93  1.0

data_TaVHgAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   11.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaVHgAu
_chemical_formula_sum   'Ta3 V3 Hg3 Au3'
_cell_volume   213.11
_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  0.71  1.0
  V  V1  3  0.0  0.0  -0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.36  1.0
  Au  Au3  3  0.0  0.0  0.07  1.0

Ta V Hg Au
Ta V Hg Au 0 1 o o + 0 1 o + o 0 1 + o o 0 3 - - o 0 3 - o - 0 3 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 3 - - - 1 2 o - - 1 2 - o - 1 2 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
TaVAuHg crystallizes in the trigonal R3m space group. Ta(1) is bonded in a 10-coordinate geometry to four equivalent V(1), three equivalent Au(1), and three equivalent Hg(1) atoms. There are three shorter (2.74 Å) and one longer (3.27 Å) Ta(1)-V(1) bond length. All Ta(1)-Au(1) bond lengths are 2.70 Å. All Ta(1)-Hg(1) bond lengths are 2.70 Å. V(1) is bonded in a single-bond geometry to four equivalent Ta(1), one Au(1), and three equivalent Hg(1) atoms. The V(1)-Au(1) bond length is 0.79 Å. All V(1)-Hg(1) bond lengths are 2.70 Å. Au(1) is bonded in a single-bond geometry to three equivalent Ta(1), one V(1), and four equivalent Hg(1) atoms. There are three shorter (2.74 Å) and one longer (3.27 Å) Au(1)-Hg(1) bond length. Hg(1) is bonded in a distorted q6 geometry to three equivalent Ta(1), three equivalent V(1), and four equivalent Au(1) atoms.