data_ZnNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2Cl
_chemical_formula_sum   'Zn1 Ni2 Cl1'
_cell_volume   54.0
_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  0.03  1.0
  Ni  Ni1  1  0.49  0.49  0.69  1.0
  Ni  Ni2  1  0.49  0.49  0.38  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ZnNi2Cl
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   ZnNi2Cl
_chemical_formula_sum   'Zn1 Ni2 Cl1'
_cell_volume   54.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.03  1.0
  Ni  Ni1  1  0.5  0.5  0.38  1.0
  Ni  Ni2  1  0.5  0.5  0.69  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zn Ni Ni Cl
Ni2ZnCl crystallizes in the monoclinic Cm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to one Ni(2) and four equivalent Cl(1) atoms. The Ni(1)-Ni(2) bond length is 1.88 Å. There are a spread of Ni(1)-Cl(1) bond distances ranging from 2.82-2.87 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to one Ni(1), four equivalent Ni(2), and four equivalent Zn(1) atoms. All Ni(2)-Ni(2) bond lengths are 2.98 Å. There are a spread of Ni(2)-Zn(1) bond distances ranging from 2.95-2.99 Å. Zn(1) is bonded in a single-bond geometry to four equivalent Ni(2) and one Cl(1) atom. The Zn(1)-Cl(1) bond length is 0.19 Å. Cl(1) is bonded in a single-bond geometry to four equivalent Ni(1) and one Zn(1) atom.