data_V4InHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V4InHg
_chemical_formula_sum   'V4 In1 Hg1'
_cell_volume   96.39
_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
  V  V2  1  0.56  0.56  0.71  1.0
  V  V3  1  0.56  0.71  0.56  1.0
  V  V4  1  0.71  0.56  0.56  1.0
  V  V5  1  0.71  0.71  0.71  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.46  0.46  0.46  1.0

data_V4InHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   12.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   V4InHg
_chemical_formula_sum   'V12 In3 Hg3'
_cell_volume   289.16
_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
  V  V0  9  0.05  0.1  0.39  1.0
  V  V1  3  0.0  0.0  0.29  1.0
  In  In2  3  0.0  0.0  0.0  1.0
  Hg  Hg3  3  0.0  0.0  0.54  1.0

V V V V In Hg
V4HgIn crystallizes in the trigonal R3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one V(2), two equivalent V(1), two equivalent Hg(1), and two equivalent In(1) atoms. The V(1)-V(2) bond length is 1.34 Å. Both V(1)-V(1) bond lengths are 0.77 Å. There is one shorter (2.01 Å) and one longer (3.38 Å) V(1)-Hg(1) bond length. Both V(1)-In(1) bond lengths are 2.85 Å. In the second V site, V(2) is bonded in a 10-coordinate geometry to three equivalent V(1), three equivalent Hg(1), and four equivalent In(1) atoms. All V(2)-Hg(1) bond lengths are 3.13 Å. There are three shorter (3.03 Å) and one longer (3.60 Å) V(2)-In(1) bond length. Hg(1) is bonded in a 12-coordinate geometry to three equivalent V(2), six equivalent V(1), and three equivalent In(1) atoms. All Hg(1)-In(1) bond lengths are 3.37 Å. In(1) is bonded in a 13-coordinate geometry to four equivalent V(2), six equivalent V(1), and three equivalent Hg(1) atoms.