data_AgSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSn2Hg
_chemical_formula_sum   'Ag1 Sn2 Hg1'
_cell_volume   98.86
_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
  Sn  Sn2  1  0.67  0.67  0.67  1.0
  Sn  Sn3  1  0.83  0.83  0.83  1.0
  Hg  Hg1  1  0.5  0.5  0.5  1.0

data_AgSn2Hg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   AgSn2Hg
_chemical_formula_sum   'Ag3 Sn6 Hg3'
_cell_volume   296.58
_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
  Sn  Sn1  3  0.0  0.0  0.17  1.0
  Sn  Sn2  3  0.0  0.0  0.33  1.0
  Hg  Hg3  3  0.0  0.0  0.5  1.0

Ag Sn Sn Hg
Ag Sn Sn Hg 0 2 - - - 1 3 o o o 1 2 o o o 
AgHgSn2 crystallizes in the trigonal R3m space group. Ag(1) is bonded to one Sn(2) and three equivalent Sn(1) atoms to form distorted AgSn4 trigonal pyramids that share  a cornercorner with one Sn(1)Ag3SnHg trigonal bipyramid, corners with three equivalent Sn(2)AgSnHg3 trigonal bipyramids, corners with six equivalent Ag(1)Sn4 trigonal pyramids, and edges with three equivalent Hg(1)Sn4 trigonal pyramids. The Ag(1)-Sn(2) bond length is 2.10 Å. All Ag(1)-Sn(1) bond lengths are 3.00 Å. Hg(1) is bonded to one Sn(1) and three equivalent Sn(2) atoms to form distorted HgSn4 trigonal pyramids that share  a cornercorner with one Sn(2)AgSnHg3 trigonal bipyramid, corners with three equivalent Sn(1)Ag3SnHg trigonal bipyramids, corners with six equivalent Hg(1)Sn4 trigonal pyramids, and edges with three equivalent Ag(1)Sn4 trigonal pyramids. The Hg(1)-Sn(1) bond length is 2.10 Å. All Hg(1)-Sn(2) bond lengths are 3.00 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to three equivalent Ag(1), one Hg(1), and one Sn(2) atom to form distorted SnAg3SnHg trigonal bipyramids that share corners with six equivalent Sn(1)Ag3SnHg trigonal bipyramids,  a cornercorner with one Ag(1)Sn4 trigonal pyramid, corners with three equivalent Hg(1)Sn4 trigonal pyramids, and edges with three equivalent Sn(2)AgSnHg3 trigonal bipyramids. The Sn(1)-Sn(2) bond length is 2.10 Å. In the second Sn site, Sn(2) is bonded to one Ag(1), three equivalent Hg(1), and one Sn(1) atom to form distorted SnAgSnHg3 trigonal bipyramids that share corners with six equivalent Sn(2)AgSnHg3 trigonal bipyramids,  a cornercorner with one Hg(1)Sn4 trigonal pyramid, corners with three equivalent Ag(1)Sn4 trigonal pyramids, and edges with three equivalent Sn(1)Ag3SnHg trigonal bipyramids.