The compound described by CsNiC3(NS)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one C(1), one C(2), one C(3), one N(1), one N(2), one N(3), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted octahedral geometry to two equivalent N(3), two equivalent S(1), and two equivalent S(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent S(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Cs(1), one N(3), and one S(3) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cs(1), one N(1), and one S(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Cs(1), one N(2), and one S(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Ni(1), and one C(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(1), and one C(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(2), and one C(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to three equivalent Cs(1), one Ni(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNiC3(SN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.299
_cell_length_b   5.541
_cell_length_c   13.169
_cell_angle_alpha   71.749
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   921.592
_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
  Cs  Cs0  1  0.271  0.936  0.717  1.0
  Cs  Cs1  1  0.729  0.064  0.283  1.0
  Cs  Cs2  1  0.229  0.936  0.217  1.0
  Cs  Cs3  1  0.771  0.064  0.783  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  C  C8  1  0.906  0.962  0.574  1.0
  C  C9  1  0.550  0.681  0.738  1.0
  C  C10  1  0.050  0.319  0.762  1.0
  C  C11  1  0.406  0.038  0.926  1.0
  C  C12  1  0.594  0.962  0.074  1.0
  C  C13  1  0.882  0.519  0.990  1.0
  C  C14  1  0.950  0.681  0.238  1.0
  C  C15  1  0.094  0.038  0.426  1.0
  C  C16  1  0.382  0.481  0.510  1.0
  C  C17  1  0.618  0.519  0.490  1.0
  C  C18  1  0.450  0.319  0.262  1.0
  C  C19  1  0.118  0.481  0.010  1.0
  S  S20  1  0.109  0.490  0.654  1.0
  S  S21  1  0.660  0.231  0.516  1.0
  S  S22  1  0.357  0.310  0.923  1.0
  S  S23  1  0.891  0.510  0.346  1.0
  S  S24  1  0.391  0.490  0.154  1.0
  S  S25  1  0.643  0.690  0.077  1.0
  S  S26  1  0.143  0.310  0.423  1.0
  S  S27  1  0.857  0.690  0.577  1.0
  S  S28  1  0.340  0.769  0.484  1.0
  S  S29  1  0.609  0.510  0.846  1.0
  S  S30  1  0.160  0.769  0.984  1.0
  S  S31  1  0.840  0.231  0.016  1.0
  N  N32  1  0.511  0.807  0.659  1.0
  N  N33  1  0.914  0.727  0.972  1.0
  N  N34  1  0.989  0.807  0.159  1.0
  N  N35  1  0.441  0.838  0.930  1.0
  N  N36  1  0.559  0.162  0.070  1.0
  N  N37  1  0.414  0.273  0.528  1.0
  N  N38  1  0.586  0.727  0.472  1.0
  N  N39  1  0.941  0.162  0.570  1.0
  N  N40  1  0.489  0.193  0.341  1.0
  N  N41  1  0.059  0.838  0.430  1.0
  N  N42  1  0.086  0.273  0.028  1.0
  N  N43  1  0.011  0.193  0.841  1.0
[/CIF]
.
The compound described by CsNiC3(NS)3 crystallizes in the monoclinic P2_1/c space group. Cs(1) is bonded in a 13-coordinate geometry to one C(1), one C(2), one C(3), one N(1), one N(2), one N(3), two equivalent S(1), two equivalent S(2), and three equivalent S(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted octahedral geometry to two equivalent N(3), two equivalent S(1), and two equivalent S(3) atoms. In the second Ni site, Ni(2) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent S(2) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted single-bond geometry to one Cs(1), one N(3), and one S(3) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to one Cs(1), one N(1), and one S(1) atom. In the third C site, C(3) is bonded in a distorted single-bond geometry to one Cs(1), one N(2), and one S(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(2) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ni(2), and one C(3) atom. In the third N site, N(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Ni(1), and one C(1) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(1), and one C(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Cs(1), one Ni(2), and one C(3) atom. In the third S site, S(3) is bonded in a distorted water-like geometry to three equivalent Cs(1), one Ni(1), and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNiC3(SN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.299
_cell_length_b   5.541
_cell_length_c   13.169
_cell_angle_alpha   71.749
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   921.592
_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
  Cs  Cs0  1  0.271  0.936  0.717  1.0
  Cs  Cs1  1  0.729  0.064  0.283  1.0
  Cs  Cs2  1  0.229  0.936  0.217  1.0
  Cs  Cs3  1  0.771  0.064  0.783  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  Ni  Ni6  1  0.500  0.500  0.000  1.0
  Ni  Ni7  1  0.500  0.000  0.500  1.0
  C  C8  1  0.906  0.962  0.574  1.0
  C  C9  1  0.550  0.681  0.738  1.0
  C  C10  1  0.050  0.319  0.762  1.0
  C  C11  1  0.406  0.038  0.926  1.0
  C  C12  1  0.594  0.962  0.074  1.0
  C  C13  1  0.882  0.519  0.990  1.0
  C  C14  1  0.950  0.681  0.238  1.0
  C  C15  1  0.094  0.038  0.426  1.0
  C  C16  1  0.382  0.481  0.510  1.0
  C  C17  1  0.618  0.519  0.490  1.0
  C  C18  1  0.450  0.319  0.262  1.0
  C  C19  1  0.118  0.481  0.010  1.0
  S  S20  1  0.109  0.490  0.654  1.0
  S  S21  1  0.660  0.231  0.516  1.0
  S  S22  1  0.357  0.310  0.923  1.0
  S  S23  1  0.891  0.510  0.346  1.0
  S  S24  1  0.391  0.490  0.154  1.0
  S  S25  1  0.643  0.690  0.077  1.0
  S  S26  1  0.143  0.310  0.423  1.0
  S  S27  1  0.857  0.690  0.577  1.0
  S  S28  1  0.340  0.769  0.484  1.0
  S  S29  1  0.609  0.510  0.846  1.0
  S  S30  1  0.160  0.769  0.984  1.0
  S  S31  1  0.840  0.231  0.016  1.0
  N  N32  1  0.511  0.807  0.659  1.0
  N  N33  1  0.914  0.727  0.972  1.0
  N  N34  1  0.989  0.807  0.159  1.0
  N  N35  1  0.441  0.838  0.930  1.0
  N  N36  1  0.559  0.162  0.070  1.0
  N  N37  1  0.414  0.273  0.528  1.0
  N  N38  1  0.586  0.727  0.472  1.0
  N  N39  1  0.941  0.162  0.570  1.0
  N  N40  1  0.489  0.193  0.341  1.0
  N  N41  1  0.059  0.838  0.430  1.0
  N  N42  1  0.086  0.273  0.028  1.0
  N  N43  1  0.011  0.193  0.841  1.0
[/CIF]
.