data_HfCu2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Tc
_chemical_formula_sum   'Hf1 Cu2 Tc1'
_cell_volume   59.85
_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  Hf2  1  0.85  0.0  0.93  1.0
  Cu  Cu0  1  0.85  0.0  0.6  1.0
  Cu  Cu1  1  0.0  0.0  0.97  1.0
  Tc  Tc3  1  0.0  0.0  0.72  1.0

data_HfCu2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCu2Tc
_chemical_formula_sum   'Hf1 Cu2 Tc1'
_cell_volume   59.85
_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  0.85  0.0  0.93  1.0
  Tc  Tc1  1  0.0  0.0  0.72  1.0
  Cu  Cu2  1  0.0  0.0  0.97  1.0
  Cu  Cu3  1  0.85  0.0  0.6  1.0

Hf Cu Cu Tc
Hf Cu Cu Tc 0 2 + o o 1 3 + o o 
HfTcCu2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one HfTcCu2 cluster. Hf(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Cu(2) atom. The Hf(1)-Tc(1) bond length is 1.62 Å. The Hf(1)-Cu(2) bond length is 0.52 Å. Tc(1) is bonded in a distorted bent 150 degrees geometry to one Hf(1) and one Cu(1) atom. The Tc(1)-Cu(1) bond length is 1.01 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Tc(1) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Hf(1) atom.