data_CaZn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZn2Ni
_chemical_formula_sum   'Ca1 Zn2 Ni1'
_cell_volume   70.81
_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
  Ca  Ca0  1  0.0  0.0  0.43  1.0
  Zn  Zn2  1  0.0  0.0  0.4  1.0
  Zn  Zn3  1  0.64  0.64  0.28  1.0
  Ni  Ni1  1  0.64  0.64  0.38  1.0

data_CaZn2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaZn2Ni
_chemical_formula_sum   'Ca2 Zn4 Ni2'
_cell_volume   141.62
_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
  Ca  Ca0  2  0.0  0.0  0.43  1.0
  Zn  Zn1  2  0.0  0.0  0.4  1.0
  Zn  Zn2  2  0.14  0.5  0.28  1.0
  Ni  Ni3  2  0.14  0.5  0.38  1.0

Ca Zn Zn Ni
CaZnNiZn is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two calcium;zinc molecules and two NiZn clusters. In each NiZn cluster, Ni(1) is bonded in a single-bond geometry to one Zn(2) atom. The Ni(1)-Zn(2) bond length is 0.69 Å. Zn(2) is bonded in a single-bond geometry to one Ni(1) atom.