data_ZnNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi
_chemical_formula_sum   'Zn4 Ni4'
_cell_volume   99.3
_cell_formula_units_Z   4
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  Zn4  1  0.44  0.44  0.44  1.0
  Zn  Zn5  1  0.87  0.19  0.76  1.0
  Zn  Zn6  1  0.19  0.76  0.87  1.0
  Zn  Zn7  1  0.76  0.87  0.19  1.0
  Ni  Ni0  1  0.85  0.85  0.85  1.0
  Ni  Ni1  1  0.47  0.78  0.16  1.0
  Ni  Ni2  1  0.78  0.16  0.47  1.0
  Ni  Ni3  1  0.16  0.47  0.78  1.0

data_ZnNi
_symmetry_space_group_name_H-M   R3
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   8.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   ZnNi
_chemical_formula_sum   'Zn12 Ni12'
_cell_volume   297.89
_cell_formula_units_Z   12
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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  9  0.15  0.42  0.61  1.0
  Zn  Zn1  3  0.0  0.0  0.44  1.0
  Ni  Ni2  9  0.02  0.35  0.14  1.0
  Ni  Ni3  3  0.0  0.0  0.85  1.0

Zn Zn Zn Zn Ni Ni Ni Ni
NiZn crystallizes in the trigonal R3 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Zn(2) atoms. All Ni(1)-Zn(2) bond lengths are 1.64 Å. In the second Ni site, Ni(2) is bonded in a 3-coordinate geometry to one Zn(1) and two equivalent Zn(2) atoms. The Ni(2)-Zn(1) bond length is 2.06 Å. There is one shorter (1.40 Å) and one longer (1.87 Å) Ni(2)-Zn(2) bond length. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to three equivalent Ni(2) atoms. In the second Zn site, Zn(2) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1) and two equivalent Ni(2) atoms.