data_SiAgHgC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiAgHgC
_chemical_formula_sum   'Si1 Ag1 Hg1 C1'
_cell_volume   66.52
_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
  Si  Si3  1  0.82  0.82  0.82  1.0
  Ag  Ag0  1  0.61  0.61  0.61  1.0
  Hg  Hg2  1  0.22  0.22  0.22  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_SiAgHgC
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiAgHgC
_chemical_formula_sum   'Si3 Ag3 Hg3 C3'
_cell_volume   199.57
_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
  Si  Si0  3  0.0  0.0  0.18  1.0
  Ag  Ag1  3  0.0  0.0  0.39  1.0
  Hg  Hg2  3  0.0  0.0  0.78  1.0
  C  C3  3  0.0  0.0  0.0  1.0

Si Ag Hg C
Si Ag Hg C 0 3 + + + 0 1 o + o 0 1 + o o 0 1 o o + 0 1 o o o 0 2 + + o 0 2 + o + 0 2 o + + 1 2 o o + 1 2 o + o 1 2 + o o 1 3 o + + 1 3 + o + 1 3 + + o 2 3 o o o 2 3 o o + 2 3 + o o 2 3 o + o 
AgHgSiC crystallizes in the trigonal R3m space group. Ag(1) is bonded in a 10-coordinate geometry to three equivalent Hg(1), four equivalent Si(1), and three equivalent C(1) atoms. All Ag(1)-Hg(1) bond lengths are 2.71 Å. There is one shorter (2.41 Å) and three longer (2.93 Å) Ag(1)-Si(1) bond lengths. All Ag(1)-C(1) bond lengths are 2.71 Å. Hg(1) is bonded in a distorted single-bond geometry to three equivalent Ag(1) and one C(1) atom. The Hg(1)-C(1) bond length is 2.41 Å. Si(1) is bonded in a distorted single-bond geometry to four equivalent Ag(1) and one C(1) atom. The Si(1)-C(1) bond length is 1.96 Å. C(1) is bonded in a 5-coordinate geometry to three equivalent Ag(1), one Hg(1), and one Si(1) atom.