data_CrTcHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrTcHg2
_chemical_formula_sum   'Cr1 Tc1 Hg2'
_cell_volume   67.37
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.23  0.23  0.23  1.0
  Hg  Hg1  1  0.61  0.61  0.61  1.0
  Hg  Hg2  1  0.84  0.84  0.84  1.0

data_CrTcHg2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   11.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CrTcHg2
_chemical_formula_sum   'Cr3 Tc3 Hg6'
_cell_volume   202.11
_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
  Cr  Cr0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.77  1.0
  Hg  Hg2  3  0.0  0.0  0.16  1.0
  Hg  Hg3  3  0.0  0.0  0.39  1.0

Cr Tc Hg Hg
CrTcHg2 crystallizes in the trigonal R3m space group. Cr(1) is bonded in a distorted single-bond geometry to four equivalent Tc(1), one Hg(2), and three equivalent Hg(1) atoms. There is one shorter (2.57 Å) and three longer (2.88 Å) Cr(1)-Tc(1) bond lengths. The Cr(1)-Hg(2) bond length is 1.74 Å. All Cr(1)-Hg(1) bond lengths are 2.70 Å. Tc(1) is bonded in a 10-coordinate geometry to four equivalent Cr(1), three equivalent Hg(1), and three equivalent Hg(2) atoms. All Tc(1)-Hg(1) bond lengths are 2.70 Å. All Tc(1)-Hg(2) bond lengths are 2.70 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to three equivalent Cr(1), three equivalent Tc(1), and one Hg(2) atom. The Hg(1)-Hg(2) bond length is 2.57 Å. In the second Hg site, Hg(2) is bonded in a single-bond geometry to one Cr(1), three equivalent Tc(1), and one Hg(1) atom.