data_HfBe2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   3.12
_cell_angle_alpha   91.21
_cell_angle_beta   91.21
_cell_angle_gamma   102.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Tc
_chemical_formula_sum   'Hf1 Be2 Tc1'
_cell_volume   52.21
_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  0.59  0.0  0.0  1.0
  Be  Be0  1  0.24  0.38  0.56  1.0
  Be  Be1  1  0.24  0.62  0.56  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

data_HfBe2Tc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.14
_cell_length_c   4.14
_cell_angle_alpha   102.6
_cell_angle_beta   91.21
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBe2Tc
_chemical_formula_sum   'Hf1 Be2 Tc1'
_cell_volume   52.21
_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  0.59  0.0  1.0
  Be  Be1  1  0.56  0.24  0.38  1.0
  Be  Be2  1  0.56  0.24  0.62  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0

Hf Be Be Tc
Be2HfTc crystallizes in the triclinic P1 space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 3-coordinate geometry to one Be(2) and two equivalent Tc(1) atoms. The Be(1)-Be(2) bond length is 0.96 Å. There is one shorter (2.21 Å) and one longer (2.39 Å) Be(1)-Tc(1) bond length. In the second Be site, Be(2) is bonded in a 5-coordinate geometry to one Be(1), two equivalent Hf(1), and two equivalent Tc(1) atoms. There is one shorter (2.30 Å) and one longer (2.62 Å) Be(2)-Hf(1) bond length. There is one shorter (2.47 Å) and one longer (2.71 Å) Be(2)-Tc(1) bond length. Hf(1) is bonded in a distorted single-bond geometry to two equivalent Be(2) and one Tc(1) atom. The Hf(1)-Tc(1) bond length is 1.70 Å. Tc(1) is bonded in a 1-coordinate geometry to two equivalent Be(1), two equivalent Be(2), and one Hf(1) atom.