data_HfCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoTc2
_chemical_formula_sum   'Hf1 Co1 Tc2'
_cell_volume   60.93
_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  Hf1  1  0.0  0.0  1.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.59  0.59  0.71  1.0
  Tc  Tc3  1  0.59  0.59  0.28  1.0

data_HfCoTc2
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   5.99
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   HfCoTc2
_chemical_formula_sum   'Hf2 Co2 Tc4'
_cell_volume   121.86
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.5  0.0  0.0  1.0
  Co  Co1  2  0.5  0.0  0.0  1.0
  Tc  Tc2  4  0.21  0.0  0.59  1.0

Hf Co Tc Tc 0 1 o o + 0 2 o o o 0 2 o - o 0 2 - o o 0 2 - - o 0 3 o o + 0 3 o - + 0 3 - o + 0 3 - - + 1 2 o o - 1 2 o - - 1 2 - o - 1 2 - - - 1 3 o o o 1 3 o - o 1 3 - o o 1 3 - - o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
HfTc2Co crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to four equivalent Tc(1) and one Co(1) atom. There are a spread of Hf(1)-Tc(1) bond distances ranging from 2.51-3.18 Å. The Hf(1)-Co(1) bond length is 0.02 Å. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one Tc(2) atom. The Tc(1)-Tc(2) bond length is 2.57 Å. In the second Tc site, Tc(2) is bonded in a 9-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent Co(1) atoms. All Tc(2)-Tc(2) bond lengths are 3.19 Å. There are a spread of Tc(2)-Co(1) bond distances ranging from 2.49-3.17 Å. In the third Tc site, Tc(2) is bonded in a 9-coordinate geometry to one Tc(1), four equivalent Tc(2), and four equivalent Co(1) atoms. The Tc(2)-Tc(1) bond length is 2.57 Å. There are a spread of Tc(2)-Co(1) bond distances ranging from 2.49-3.17 Å. Co(1) is bonded in a single-bond geometry to one Hf(1) and four Tc(2,2) atoms.