data_HfTcSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   134.07
_cell_angle_beta   134.07
_cell_angle_gamma   66.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcSn2
_chemical_formula_sum   'Hf1 Tc1 Sn2'
_cell_volume   79.0
_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  0.1  0.0  0.24  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.49  1.0
  Sn  Sn2  1  0.0  0.1  0.24  1.0

data_HfTcSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.38
_cell_angle_alpha   112.97
_cell_angle_beta   112.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcSn2
_chemical_formula_sum   'Hf1 Tc1 Sn2'
_cell_volume   79.0
_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  0.24  0.14  0.14  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.14  0.24  0.14  1.0
  Sn  Sn3  1  0.49  0.49  0.49  1.0

Hf Tc Sn Sn
Hf Tc Sn Sn 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 
HfTcSn2 is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTcSn2 cluster. Hf(1) is bonded in a distorted single-bond geometry to one Tc(1), one Sn(1), and one Sn(2) atom. The Hf(1)-Tc(1) bond length is 1.01 Å. The Hf(1)-Sn(1) bond length is 1.72 Å. The Hf(1)-Sn(2) bond length is 0.58 Å. Tc(1) is bonded in a 2-coordinate geometry to one Hf(1) and one Sn(2) atom. The Tc(1)-Sn(2) bond length is 1.01 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 1-coordinate geometry to one Hf(1) atom. In the second Sn site, Sn(2) is bonded in a single-bond geometry to one Hf(1) and one Tc(1) atom.