data_ZrZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnNi2
_chemical_formula_sum   'Zr1 Zn1 Ni2'
_cell_volume   58.36
_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
  Zr  Zr3  1  0.0  0.0  0.94  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.58  0.58  0.57  1.0
  Ni  Ni1  1  0.58  0.58  0.3  1.0

data_ZrZnNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrZnNi2
_chemical_formula_sum   'Zr2 Zn2 Ni4'
_cell_volume   116.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zr  Zr0  2  0.0  0.0  0.94  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.08  0.5  0.3  1.0
  Ni  Ni3  2  0.08  0.5  0.57  1.0

Zr Zn Ni Ni
ZrNi2Zn crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to four equivalent Ni(1) and one Zn(1) atom. There are a spread of Zr(1)-Ni(1) bond distances ranging from 2.86-3.35 Å. The Zr(1)-Zn(1) bond length is 0.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Zr(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.57 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to one Ni(1) and three equivalent Zn(1) atoms. There is one shorter (2.59 Å) and two longer (2.87 Å) Ni(2)-Zn(1) bond lengths. Zn(1) is bonded in a single-bond geometry to one Zr(1) and three equivalent Ni(2) atoms.