data_ZnSi3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSi3Ni
_chemical_formula_sum   'Zn1 Si3 Ni1'
_cell_volume   95.23
_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  Zn1  1  0.28  0.28  0.28  1.0
  Si  Si2  1  0.28  0.0  0.28  1.0
  Si  Si3  1  0.28  0.28  0.0  1.0
  Si  Si4  1  0.0  0.28  0.28  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_ZnSi3Ni
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZnSi3Ni
_chemical_formula_sum   'Zn3 Si9 Ni3'
_cell_volume   285.69
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.28  1.0
  Si  Si1  9  0.09  0.19  0.19  1.0
  Ni  Ni2  3  0.0  0.0  0.0  1.0

Zn Si Si Si Ni
NiZnSi3 is alpha Po structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three NiZnSi3 clusters. Ni(1) is bonded in a 3-coordinate geometry to three equivalent Si(1) atoms. All Ni(1)-Si(1) bond lengths are 1.83 Å. Zn(1) is bonded in a distorted T-shaped geometry to three equivalent Si(1) atoms. All Zn(1)-Si(1) bond lengths are 1.29 Å. Si(1) is bonded in a distorted single-bond geometry to one Ni(1) and one Zn(1) atom.