data_HfMgTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMgTc2
_chemical_formula_sum   'Hf1 Mg1 Tc2'
_cell_volume   68.41
_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
  Hf  Hf0  1  0.0  0.0  0.45  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.39  0.39  0.18  1.0
  Tc  Tc3  1  0.39  0.39  0.71  1.0

data_HfMgTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMgTc2
_chemical_formula_sum   'Hf2 Mg2 Tc4'
_cell_volume   136.82
_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
  Hf  Hf0  2  0.0  0.0  0.45  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.39  0.0  0.18  1.0
  Tc  Tc3  2  0.39  0.0  0.71  1.0

Hf Mg Tc Tc
MgHfTc2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 1-coordinate geometry to one Tc(1) and four equivalent Tc(2) atoms. The Mg(1)-Tc(1) bond length is 2.18 Å. There are a spread of Mg(1)-Tc(2) bond distances ranging from 2.95-3.49 Å. Hf(1) is bonded to four equivalent Hf(1), four equivalent Tc(1), and four equivalent Tc(2) atoms to form a mixture of distorted face and corner-sharing HfHf4Tc8 cuboctahedra. All Hf(1)-Hf(1) bond lengths are 2.77 Å. There are a spread of Hf(1)-Tc(1) bond distances ranging from 2.84-3.39 Å. There are a spread of Hf(1)-Tc(2) bond distances ranging from 2.84-3.39 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 four equivalent Hf(1) atoms. In the second Tc site, Tc(2) is bonded in a 12-coordinate geometry to four equivalent Mg(1), four equivalent Hf(1), and four equivalent Tc(2) atoms. All Tc(2)-Tc(2) bond lengths are 2.77 Å.