The compound described by Ni4CN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Ni site, Ni(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(4) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted T-shaped geometry to two equivalent Ni(3) and one C(1) atom. In the second N site, N(1) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NNi5 trigonal bipyramids that share  a cornercorner with one N(3)Ni3C tetrahedra, corners with four equivalent N(2)Ni5 trigonal bipyramids, and edges with two equivalent N(1)Ni5 trigonal bipyramids. In the third N site, N(2) is bonded to one Ni(4), two equivalent Ni(1), and two equivalent Ni(2) atoms to form distorted NNi5 trigonal bipyramids that share corners with four equivalent N(3)Ni3C tetrahedra, corners with four equivalent N(1)Ni5 trigonal bipyramids,  an edgeedge with one N(3)Ni3C tetrahedra, and edges with two equivalent N(2)Ni5 trigonal bipyramids. In the fourth N site, N(3) is bonded to one Ni(1), two equivalent Ni(2), and one C(1) atom to form NNi3C tetrahedra that share corners with two equivalent N(3)Ni3C tetrahedra,  a cornercorner with one N(1)Ni5 trigonal bipyramid, corners with four equivalent N(2)Ni5 trigonal bipyramids, and  an edgeedge with one N(2)Ni5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   2.774
_cell_length_c   15.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.216
_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
  Ni  Ni0  1  0.039  0.250  0.156  1.0
  Ni  Ni1  1  0.539  0.250  0.344  1.0
  Ni  Ni2  1  0.961  0.750  0.844  1.0
  Ni  Ni3  1  0.461  0.750  0.656  1.0
  Ni  Ni4  1  0.856  0.250  0.034  1.0
  Ni  Ni5  1  0.356  0.250  0.466  1.0
  Ni  Ni6  1  0.144  0.750  0.966  1.0
  Ni  Ni7  1  0.644  0.750  0.534  1.0
  Ni  Ni8  1  0.446  0.250  0.813  1.0
  Ni  Ni9  1  0.946  0.250  0.687  1.0
  Ni  Ni10  1  0.554  0.750  0.187  1.0
  Ni  Ni11  1  0.054  0.750  0.313  1.0
  Ni  Ni12  1  0.188  0.250  0.784  1.0
  Ni  Ni13  1  0.688  0.250  0.716  1.0
  Ni  Ni14  1  0.812  0.750  0.216  1.0
  Ni  Ni15  1  0.312  0.750  0.284  1.0
  C  C16  1  0.333  0.250  0.083  1.0
  C  C17  1  0.833  0.250  0.417  1.0
  C  C18  1  0.667  0.750  0.917  1.0
  C  C19  1  0.167  0.750  0.583  1.0
  N  N20  1  0.666  0.250  0.243  1.0
  N  N21  1  0.166  0.250  0.257  1.0
  N  N22  1  0.334  0.750  0.757  1.0
  N  N23  1  0.834  0.750  0.743  1.0
  N  N24  1  0.093  0.250  0.889  1.0
  N  N25  1  0.593  0.250  0.611  1.0
  N  N26  1  0.907  0.750  0.111  1.0
  N  N27  1  0.407  0.750  0.389  1.0
  N  N28  1  0.205  0.250  0.053  1.0
  N  N29  1  0.705  0.250  0.447  1.0
  N  N30  1  0.795  0.750  0.947  1.0
  N  N31  1  0.295  0.750  0.553  1.0
  N  N32  1  0.452  0.250  0.120  1.0
  N  N33  1  0.952  0.250  0.380  1.0
  N  N34  1  0.548  0.750  0.880  1.0
  N  N35  1  0.048  0.750  0.620  1.0
[/CIF]
.
The compound described by Ni4CN4 crystallizes in the orthorhombic Pnma space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(3), and two equivalent N(2) atoms. In the second Ni site, Ni(2) is bonded in a square co-planar geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Ni site, Ni(3) is bonded in a rectangular see-saw-like geometry to two equivalent N(1) and two equivalent N(4) atoms. In the fourth Ni site, Ni(4) is bonded in a distorted trigonal planar geometry to one N(2) and two equivalent N(1) atoms. C(1) is bonded in a linear geometry to one N(3) and one N(4) atom. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted T-shaped geometry to two equivalent Ni(3) and one C(1) atom. In the second N site, N(1) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ni(4) atoms to form distorted NNi5 trigonal bipyramids that share  a cornercorner with one N(3)Ni3C tetrahedra, corners with four equivalent N(2)Ni5 trigonal bipyramids, and edges with two equivalent N(1)Ni5 trigonal bipyramids. In the third N site, N(2) is bonded to one Ni(4), two equivalent Ni(1), and two equivalent Ni(2) atoms to form distorted NNi5 trigonal bipyramids that share corners with four equivalent N(3)Ni3C tetrahedra, corners with four equivalent N(1)Ni5 trigonal bipyramids,  an edgeedge with one N(3)Ni3C tetrahedra, and edges with two equivalent N(2)Ni5 trigonal bipyramids. In the fourth N site, N(3) is bonded to one Ni(1), two equivalent Ni(2), and one C(1) atom to form NNi3C tetrahedra that share corners with two equivalent N(3)Ni3C tetrahedra,  a cornercorner with one N(1)Ni5 trigonal bipyramid, corners with four equivalent N(2)Ni5 trigonal bipyramids, and  an edgeedge with one N(2)Ni5 trigonal bipyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni4CN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.047
_cell_length_b   2.774
_cell_length_c   15.191
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   381.216
_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
  Ni  Ni0  1  0.039  0.250  0.156  1.0
  Ni  Ni1  1  0.539  0.250  0.344  1.0
  Ni  Ni2  1  0.961  0.750  0.844  1.0
  Ni  Ni3  1  0.461  0.750  0.656  1.0
  Ni  Ni4  1  0.856  0.250  0.034  1.0
  Ni  Ni5  1  0.356  0.250  0.466  1.0
  Ni  Ni6  1  0.144  0.750  0.966  1.0
  Ni  Ni7  1  0.644  0.750  0.534  1.0
  Ni  Ni8  1  0.446  0.250  0.813  1.0
  Ni  Ni9  1  0.946  0.250  0.687  1.0
  Ni  Ni10  1  0.554  0.750  0.187  1.0
  Ni  Ni11  1  0.054  0.750  0.313  1.0
  Ni  Ni12  1  0.188  0.250  0.784  1.0
  Ni  Ni13  1  0.688  0.250  0.716  1.0
  Ni  Ni14  1  0.812  0.750  0.216  1.0
  Ni  Ni15  1  0.312  0.750  0.284  1.0
  C  C16  1  0.333  0.250  0.083  1.0
  C  C17  1  0.833  0.250  0.417  1.0
  C  C18  1  0.667  0.750  0.917  1.0
  C  C19  1  0.167  0.750  0.583  1.0
  N  N20  1  0.666  0.250  0.243  1.0
  N  N21  1  0.166  0.250  0.257  1.0
  N  N22  1  0.334  0.750  0.757  1.0
  N  N23  1  0.834  0.750  0.743  1.0
  N  N24  1  0.093  0.250  0.889  1.0
  N  N25  1  0.593  0.250  0.611  1.0
  N  N26  1  0.907  0.750  0.111  1.0
  N  N27  1  0.407  0.750  0.389  1.0
  N  N28  1  0.205  0.250  0.053  1.0
  N  N29  1  0.705  0.250  0.447  1.0
  N  N30  1  0.795  0.750  0.947  1.0
  N  N31  1  0.295  0.750  0.553  1.0
  N  N32  1  0.452  0.250  0.120  1.0
  N  N33  1  0.952  0.250  0.380  1.0
  N  N34  1  0.548  0.750  0.880  1.0
  N  N35  1  0.048  0.750  0.620  1.0
[/CIF]
.