data_InAgHg4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAgHg4
_chemical_formula_sum   'In1 Ag1 Hg4'
_cell_volume   157.51
_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
  In  In5  1  0.43  0.43  0.43  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.36  0.36  0.21  1.0
  Hg  Hg2  1  0.36  0.21  0.36  1.0
  Hg  Hg3  1  0.21  0.36  0.36  1.0
  Hg  Hg4  1  0.21  0.21  0.21  1.0

data_InAgHg4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   14.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   InAgHg4
_chemical_formula_sum   'In3 Ag3 Hg12'
_cell_volume   472.52
_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
  In  In0  3  0.0  0.0  0.57  1.0
  Ag  Ag1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  9  0.1  0.05  0.69  1.0
  Hg  Hg3  3  0.0  0.0  0.79  1.0

In Ag Hg Hg Hg Hg
AgHg4In crystallizes in the trigonal R3m space group. Ag(1) is bonded to one Hg(2) and six equivalent Hg(1) atoms to form distorted corner-sharing AgHg7 hexagonal pyramids. The Ag(1)-Hg(2) bond length is 3.16 Å. All Ag(1)-Hg(1) bond lengths are 3.29 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(2) is bonded in a distorted rectangular see-saw-like geometry to one Ag(1) and three equivalent Hg(1) atoms. All Hg(2)-Hg(1) bond lengths are 1.54 Å. In the second Hg site, Hg(1) is bonded in a 2-coordinate geometry to two equivalent Ag(1), one Hg(2), two equivalent Hg(1), and one In(1) atom. Both Hg(1)-Hg(1) bond lengths are 0.89 Å. The Hg(1)-In(1) bond length is 1.84 Å. In(1) is bonded in a 3-coordinate geometry to three equivalent Hg(1) atoms.