data_HfZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2
_chemical_formula_sum   'Hf1 Zn2'
_cell_volume   54.15
_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  0.0  1.0
  Zn  Zn1  1  0.5  0.87  0.41  1.0
  Zn  Zn2  1  0.0  0.73  0.55  1.0

data_HfZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   6.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2
_chemical_formula_sum   'Hf1 Zn2'
_cell_volume   54.15
_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  0.0  1.0
  Zn  Zn1  1  0.0  0.73  0.55  1.0
  Zn  Zn2  1  0.5  0.87  0.41  1.0

Hf Zn Zn
HfZn2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1), one Zn(2), and two equivalent Zn(1) atoms. All Hf(1)-Hf(1) bond lengths are 3.00 Å. The Hf(1)-Zn(2) bond length is 3.25 Å. There is one shorter (3.18 Å) and one longer (3.36 Å) Hf(1)-Zn(1) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 2-coordinate geometry to two equivalent Hf(1) and three equivalent Zn(2) atoms. There are a spread of Zn(1)-Zn(2) bond distances ranging from 1.63-2.44 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one Hf(1) and three equivalent Zn(1) atoms.