data_HfTc2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.07
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Pb
_chemical_formula_sum   'Hf1 Tc2 Pb1'
_cell_volume   75.84
_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  0.67  1.0
  Tc  Tc2  1  0.0  0.0  0.33  1.0
  Tc  Tc3  1  0.54  0.54  0.82  1.0
  Pb  Pb1  1  0.54  0.54  0.25  1.0

data_HfTc2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   8.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTc2Pb
_chemical_formula_sum   'Hf2 Tc4 Pb2'
_cell_volume   151.69
_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  0.67  1.0
  Tc  Tc1  2  0.0  0.0  0.33  1.0
  Tc  Tc2  2  0.04  0.5  0.82  1.0
  Pb  Pb3  2  0.04  0.5  0.25  1.0

Hf Tc Tc Pb
Hf Tc Tc Pb 0 2 - - o 0 2 - o o 0 2 o - o 0 2 o o o 0 1 o o o 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 
HfTc2Pb crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a 5-coordinate geometry to one Tc(1) and four equivalent Tc(2) atoms. The Hf(1)-Tc(1) bond length is 2.80 Å. There are a spread of Hf(1)-Tc(2) bond distances ranging from 2.34-2.61 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 5-coordinate geometry to one Hf(1) and four equivalent Pb(1) atoms. There are a spread of Tc(1)-Pb(1) bond distances ranging from 2.12-2.41 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to four equivalent Hf(1) and one Pb(1) atom. The Tc(2)-Pb(1) bond length is 3.41 Å. Pb(1) is bonded in a 5-coordinate geometry to one Tc(2) and four equivalent Tc(1) atoms.