data_Hf2ZnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   138.09
_cell_angle_beta   138.09
_cell_angle_gamma   60.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnAs
_chemical_formula_sum   'Hf2 Zn1 As1'
_cell_volume   73.96
_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  Hf1  1  0.0  0.0  0.76  1.0
  Hf  Hf2  1  0.97  0.0  0.38  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.97  0.38  1.0

data_Hf2ZnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   5.51
_cell_angle_alpha   110.96
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnAs
_chemical_formula_sum   'Hf2 Zn1 As1'
_cell_volume   73.96
_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  0.0  0.24  1.0
  Hf  Hf1  1  0.62  0.0  0.59  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.59  0.97  0.59  1.0

Hf Hf Zn As
HfZnHfAs is BCT5 structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one arsenic;hafnium molecule and one HfZn cluster. In the HfZn cluster, Hf(1) is bonded in a distorted single-bond geometry to one Zn(1) atom. The Hf(1)-Zn(1) bond length is 1.35 Å. Zn(1) is bonded in a distorted single-bond geometry to one Hf(1) atom.