data_GaTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTc2Hg
_chemical_formula_sum   'Ga1 Tc2 Hg1'
_cell_volume   63.87
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.76  0.76  0.76  1.0
  Tc  Tc3  1  0.59  0.59  0.59  1.0
  Hg  Hg1  1  0.17  0.17  0.17  1.0

data_GaTc2Hg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   10.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaTc2Hg
_chemical_formula_sum   'Ga3 Tc6 Hg3'
_cell_volume   191.6
_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
  Ga  Ga0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.24  1.0
  Tc  Tc2  3  0.0  0.0  0.41  1.0
  Hg  Hg3  3  0.0  0.0  0.83  1.0

Ga Tc Tc Hg
Ga Tc Tc Hg 0 3 o o o 1 2 o o o 
Tc2HgGa crystallizes in the trigonal R3m space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 8-coordinate geometry to one Tc(2), three equivalent Hg(1), and four equivalent Ga(1) atoms. The Tc(1)-Tc(2) bond length is 1.90 Å. All Tc(1)-Hg(1) bond lengths are 2.74 Å. There is one shorter (2.65 Å) and three longer (2.78 Å) Tc(1)-Ga(1) bond lengths. In the second Tc site, Tc(2) is bonded in a 7-coordinate geometry to one Tc(1), three equivalent Hg(1), and three equivalent Ga(1) atoms. All Tc(2)-Hg(1) bond lengths are 2.74 Å. All Tc(2)-Ga(1) bond lengths are 2.74 Å. Hg(1) is bonded in a distorted single-bond geometry to three equivalent Tc(1), three equivalent Tc(2), and one Ga(1) atom. The Hg(1)-Ga(1) bond length is 1.90 Å. Ga(1) is bonded in a distorted single-bond geometry to three equivalent Tc(2), four equivalent Tc(1), and one Hg(1) atom.