data_ZnNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   2.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi3
_chemical_formula_sum   'Zn1 Ni3'
_cell_volume   45.59
_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  0.56  0.0  0.0  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.28  0.26  0.28  1.0
  Ni  Ni2  1  0.28  0.74  0.28  1.0

data_ZnNi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   107.24
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi3
_chemical_formula_sum   'Zn1 Ni3'
_cell_volume   45.59
_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  0.56  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.28  0.28  0.26  1.0
  Ni  Ni3  1  0.28  0.28  0.74  1.0

Zn Ni Ni Ni
ZnNi3 crystallizes in the triclinic P1 space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 2-coordinate geometry to one Ni(2) and one Zn(1) atom. The Ni(1)-Ni(2) bond length is 1.56 Å. The Ni(1)-Zn(1) bond length is 1.89 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Ni(1), one Ni(3), and one Zn(1) atom. The Ni(2)-Ni(3) bond length is 2.07 Å. The Ni(2)-Zn(1) bond length is 2.02 Å. In the third Ni site, Ni(3) is bonded in a distorted single-bond geometry to one Ni(2) and two equivalent Zn(1) atoms. There is one shorter (1.56 Å) and one longer (2.31 Å) Ni(3)-Zn(1) bond length. Zn(1) is bonded in a 4-coordinate geometry to one Ni(1), one Ni(2), and two equivalent Ni(3) atoms.