data_CuSnHgBi
_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   CuSnHgBi
_chemical_formula_sum   'Cu1 Sn1 Hg1 Bi1'
_cell_volume   98.81
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.67  0.67  0.67  1.0
  Hg  Hg2  1  0.5  0.5  0.5  1.0
  Bi  Bi0  1  0.83  0.83  0.83  1.0

data_CuSnHgBi
_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   CuSnHgBi
_chemical_formula_sum   'Cu3 Sn3 Hg3 Bi3'
_cell_volume   296.44
_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
  Cu  Cu0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.33  1.0
  Hg  Hg2  3  0.0  0.0  0.5  1.0
  Bi  Bi3  3  0.0  0.0  0.17  1.0

Cu Sn Hg Bi
CuHgSnBi crystallizes in the trigonal R3m space group. Cu(1) is bonded to three equivalent Sn(1) and one Bi(1) atom to form distorted CuSn3Bi trigonal pyramids that share  a cornercorner with one Sn(1)Cu3HgBi trigonal bipyramid, corners with six equivalent Cu(1)Sn3Bi trigonal pyramids, and edges with three equivalent Hg(1)SnBi3 trigonal pyramids. All Cu(1)-Sn(1) bond lengths are 3.00 Å. The Cu(1)-Bi(1) bond length is 2.10 Å. Hg(1) is bonded to one Sn(1) and three equivalent Bi(1) atoms to form distorted HgSnBi3 trigonal pyramids that share corners with three equivalent Sn(1)Cu3HgBi trigonal bipyramids, corners with six equivalent Hg(1)SnBi3 trigonal pyramids, and edges with three equivalent Cu(1)Sn3Bi trigonal pyramids. The Hg(1)-Sn(1) bond length is 2.10 Å. All Hg(1)-Bi(1) bond lengths are 3.00 Å. Sn(1) is bonded to three equivalent Cu(1), one Hg(1), and one Bi(1) atom to form distorted SnCu3HgBi trigonal bipyramids that share corners with six equivalent Sn(1)Cu3HgBi trigonal bipyramids,  a cornercorner with one Cu(1)Sn3Bi trigonal pyramid, and corners with three equivalent Hg(1)SnBi3 trigonal pyramids. The Sn(1)-Bi(1) bond length is 2.10 Å. Bi(1) is bonded in a distorted linear geometry to one Cu(1), three equivalent Hg(1), and one Sn(1) atom.