data_Hf2ScZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScZn
_chemical_formula_sum   'Hf2 Sc1 Zn1'
_cell_volume   82.86
_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  0.54  0.82  0.54  1.0
  Hf  Hf1  1  0.54  0.18  0.54  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.08  0.0  0.0  1.0

data_Hf2ScZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   109.47
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ScZn
_chemical_formula_sum   'Hf2 Sc1 Zn1'
_cell_volume   82.86
_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  0.54  0.54  0.18  1.0
  Hf  Hf1  1  0.54  0.54  0.82  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  -0.0  0.08  0.0  1.0

Hf Hf Sc Zn
ScHf2Zn crystallizes in the triclinic P1 space group. Sc(1) is bonded in a single-bond geometry to two equivalent Hf(1) and one Zn(1) atom. There is one shorter (2.71 Å) and one longer (2.86 Å) Sc(1)-Hf(1) bond length. The Sc(1)-Zn(1) bond length is 0.43 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 8-coordinate geometry to two equivalent Sc(1), two equivalent Hf(1), two equivalent Hf(2), and two equivalent Zn(1) atoms. Both Hf(1)-Hf(1) bond lengths are 3.09 Å. There is one shorter (1.90 Å) and one longer (3.44 Å) Hf(1)-Hf(2) bond length. There is one shorter (3.23 Å) and one longer (3.36 Å) Hf(1)-Zn(1) bond length. In the second Hf site, Hf(2) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and two equivalent Zn(1) atoms. There is one shorter (2.71 Å) and one longer (2.86 Å) Hf(2)-Zn(1) bond length. Zn(1) is bonded in a single-bond geometry to one Sc(1), two equivalent Hf(1), and two equivalent Hf(2) atoms.