data_Tc2HgW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2HgW
_chemical_formula_sum   'Tc2 Hg1 W1'
_cell_volume   65.78
_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  Tc1  1  0.6  0.6  0.6  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Hg  Hg0  1  0.81  0.81  0.81  1.0
  W  W3  1  0.2  0.2  0.2  1.0

data_Tc2HgW
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   11.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Tc2HgW
_chemical_formula_sum   'Tc6 Hg3 W3'
_cell_volume   197.33
_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
  Tc  Tc1  3  0.0  0.0  0.4  1.0
  Hg  Hg2  3  0.0  0.0  0.19  1.0
  W  W3  3  0.0  0.0  0.8  1.0

Tc Tc Hg W
WTc2Hg crystallizes in the trigonal R3m space group. W(1) is bonded in a 10-coordinate geometry to three equivalent Tc(1), four equivalent Tc(2), and three equivalent Hg(1) atoms. All W(1)-Tc(1) bond lengths are 2.71 Å. There is one shorter (2.26 Å) and three longer (2.98 Å) W(1)-Tc(2) bond lengths. All W(1)-Hg(1) bond lengths are 2.71 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to three equivalent W(1) and one Hg(1) atom to form distorted corner-sharing TcHgW3 tetrahedra. The Tc(1)-Hg(1) bond length is 2.26 Å. In the second Tc site, Tc(2) is bonded in a distorted linear geometry to four equivalent W(1) and one Hg(1) atom. The Tc(2)-Hg(1) bond length is 2.15 Å. Hg(1) is bonded in a 5-coordinate geometry to three equivalent W(1), one Tc(1), and one Tc(2) atom.