data_TcSnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcSnHg
_chemical_formula_sum   'Tc1 Sn1 Hg1'
_cell_volume   72.33
_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
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.31  0.31  0.31  1.0
  Hg  Hg0  1  0.65  0.65  0.65  1.0

data_TcSnHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   11.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TcSnHg
_chemical_formula_sum   'Tc3 Sn3 Hg3'
_cell_volume   216.99
_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
  Tc  Tc0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  3  0.0  0.0  0.69  1.0
  Hg  Hg2  3  0.0  0.0  0.35  1.0

Tc Sn Hg
TcHgSn crystallizes in the trigonal R3m space group. Tc(1) is bonded to three equivalent Hg(1) and four equivalent Sn(1) atoms to form distorted TcSn4Hg3 hexagonal pyramids that share corners with three equivalent Sn(1)Tc4Hg3 hexagonal pyramids, corners with six equivalent Tc(1)Sn4Hg3 hexagonal pyramids, edges with three equivalent Sn(1)Tc4Hg3 hexagonal pyramids, and edges with six equivalent Tc(1)Sn4Hg3 hexagonal pyramids. All Tc(1)-Hg(1) bond lengths are 2.70 Å. There are three shorter (2.72 Å) and one longer (3.52 Å) Tc(1)-Sn(1) bond length. Hg(1) is bonded in a hexagonal planar geometry to three equivalent Tc(1) and three equivalent Sn(1) atoms. All Hg(1)-Sn(1) bond lengths are 2.70 Å. Sn(1) is bonded to four equivalent Tc(1) and three equivalent Hg(1) atoms to form SnTc4Hg3 hexagonal pyramids that share corners with three equivalent Tc(1)Sn4Hg3 hexagonal pyramids, corners with six equivalent Sn(1)Tc4Hg3 hexagonal pyramids, edges with three equivalent Tc(1)Sn4Hg3 hexagonal pyramids, and edges with six equivalent Sn(1)Tc4Hg3 hexagonal pyramids.