data_MgTc2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   2.74
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTc2Hg
_chemical_formula_sum   'Mg1 Tc2 Hg1'
_cell_volume   67.7
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.37  0.37  0.2  1.0
  Tc  Tc3  1  0.37  0.37  0.85  1.0
  Hg  Hg0  1  0.0  0.0  0.52  1.0

data_MgTc2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   9.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTc2Hg
_chemical_formula_sum   'Mg2 Tc4 Hg2'
_cell_volume   135.4
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mg  Mg0  2  0.0  0.0  0.0  1.0
  Tc  Tc1  2  0.37  0.0  0.2  1.0
  Tc  Tc2  2  0.37  0.0  0.85  1.0
  Hg  Hg3  2  0.0  0.0  0.52  1.0

Mg Tc Tc Hg
Mg Tc Tc Hg 0 2 - o - 0 2 o - - 0 2 o o - 0 1 - o o 0 1 o - o 0 1 o o o 0 1 - - o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 o o o 3 3 + o o 3 3 o + o 
MgTc2Hg crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 1-coordinate geometry to one Tc(1) and one Tc(2) atom. The Mg(1)-Tc(1) bond length is 2.27 Å. The Mg(1)-Tc(2) bond length is 1.97 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 1-coordinate geometry to one Mg(1) and one Hg(1) atom. The Tc(1)-Hg(1) bond length is 3.28 Å. In the second Tc site, Tc(2) is bonded in a 1-coordinate geometry to one Mg(1) and one Hg(1) atom. The Tc(2)-Hg(1) bond length is 3.28 Å. Hg(1) is bonded to one Tc(1), one Tc(2), and four equivalent Hg(1) atoms to form a mixture of distorted edge and corner-sharing HgTc2Hg4 octahedra. The corner-sharing octahedra are not tilted. All Hg(1)-Hg(1) bond lengths are 2.74 Å.