data_KInTcHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInTcHg
_chemical_formula_sum   'K1 In1 Tc1 Hg1'
_cell_volume   102.37
_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
  K  K2  1  0.0  0.0  0.0  1.0
  In  In1  1  0.86  0.86  0.86  1.0
  Tc  Tc3  1  0.57  0.57  0.57  1.0
  Hg  Hg0  1  0.71  0.71  0.71  1.0

data_KInTcHg
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   12.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KInTcHg
_chemical_formula_sum   'K3 In3 Tc3 Hg3'
_cell_volume   307.11
_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
  K  K0  3  0.0  0.0  0.0  1.0
  In  In1  3  0.0  0.0  0.14  1.0
  Tc  Tc2  3  0.0  0.0  0.43  1.0
  Hg  Hg3  3  0.0  0.0  0.29  1.0

K In Tc Hg
K In Tc Hg 0 1 - - - 1 3 o o o 2 3 o o o 
KTcHgIn crystallizes in the trigonal R3m space group. K(1) is bonded in a distorted single-bond geometry to three equivalent Hg(1) and one In(1) atom. All K(1)-Hg(1) bond lengths are 3.09 Å. The K(1)-In(1) bond length is 1.85 Å. Tc(1) is bonded in a distorted single-bond geometry to one Hg(1) atom. The Tc(1)-Hg(1) bond length is 1.85 Å. Hg(1) is bonded to three equivalent K(1), one Tc(1), and one In(1) atom to form distorted corner-sharing HgK3InTc trigonal bipyramids. The Hg(1)-In(1) bond length is 1.85 Å. In(1) is bonded in a distorted linear geometry to one K(1) and one Hg(1) atom.