data_ZnNi2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2Au
_chemical_formula_sum   'Zn1 Ni2 Au1'
_cell_volume   53.72
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.37  0.29  0.43  1.0
  Ni  Ni2  1  0.37  0.71  0.43  1.0
  Au  Au0  1  0.75  0.0  0.0  1.0

data_ZnNi2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.39
_cell_length_c   4.39
_cell_angle_alpha   102.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2Au
_chemical_formula_sum   'Zn1 Ni2 Au1'
_cell_volume   53.72
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.43  0.37  0.29  1.0
  Ni  Ni2  1  0.43  0.37  0.71  1.0
  Au  Au3  1  0.0  0.75  0.0  1.0

Zn Ni Ni Au
Ni2AuZn crystallizes in the triclinic P1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Ni(2), two equivalent Au(1), and two equivalent Zn(1) atoms. There is one shorter (1.83 Å) and one longer (2.56 Å) Ni(1)-Ni(2) bond length. There is one shorter (2.60 Å) and one longer (2.81 Å) Ni(1)-Au(1) bond length. There is one shorter (2.22 Å) and one longer (2.47 Å) Ni(1)-Zn(1) bond length. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to two equivalent Ni(1), two equivalent Ni(2), two equivalent Au(1), and two equivalent Zn(1) atoms. Both Ni(2)-Ni(2) bond lengths are 2.86 Å. There is one shorter (2.22 Å) and one longer (2.47 Å) Ni(2)-Au(1) bond length. There is one shorter (2.60 Å) and one longer (2.81 Å) Ni(2)-Zn(1) bond length. Au(1) is bonded in a distorted single-bond geometry to two equivalent Ni(1), two equivalent Ni(2), and one Zn(1) atom. The Au(1)-Zn(1) bond length is 1.10 Å. Zn(1) is bonded in a single-bond geometry to two equivalent Ni(1), two equivalent Ni(2), and one Au(1) atom.