data_AgHg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgHg2Sb
_chemical_formula_sum   'Ag1 Hg2 Sb1'
_cell_volume   95.99
_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
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.63  0.63  0.63  1.0
  Hg  Hg2  1  0.45  0.45  0.45  1.0
  Sb  Sb3  1  0.82  0.82  0.82  1.0

data_AgHg2Sb
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgHg2Sb
_chemical_formula_sum   'Ag3 Hg6 Sb3'
_cell_volume   287.98
_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
  Ag  Ag0  3  0.0  0.0  0.0  1.0
  Hg  Hg1  3  0.0  0.0  0.37  1.0
  Hg  Hg2  3  0.0  0.0  0.55  1.0
  Sb  Sb3  3  0.0  0.0  0.18  1.0

Ag Hg Hg Sb
Ag Hg Hg Sb 0 3 - - - 1 2 o o o 1 3 o o o 
AgHg2Sb crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1), three equivalent Hg(2), and one Sb(1) atom. All Ag(1)-Hg(1) bond lengths are 3.00 Å. All Ag(1)-Hg(2) bond lengths are 3.32 Å. The Ag(1)-Sb(1) bond length is 2.30 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to three equivalent Ag(1), one Hg(2), and one Sb(1) atom to form distorted corner-sharing HgAg3HgSb trigonal bipyramids. The Hg(1)-Hg(2) bond length is 2.30 Å. The Hg(1)-Sb(1) bond length is 2.30 Å. In the second Hg site, Hg(2) is bonded in a 7-coordinate geometry to three equivalent Ag(1), one Hg(1), and three equivalent Sb(1) atoms. All Hg(2)-Sb(1) bond lengths are 3.00 Å. Sb(1) is bonded in a distorted linear geometry to one Ag(1), one Hg(1), and three equivalent Hg(2) atoms.