x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.500000	0.25420 (2)	0.750000	0.01790 (12)
N1	0.42011 (7)	0.25422 (10)	0.82854 (8)	0.0245 (3)
C1	0.36585 (8)	0.25217 (11)	0.85683 (9)	0.0221 (3)
S1	0.28878 (2)	0.24794 (3)	0.89699 (2)	0.03098 (12)
N11	0.55731 (6)	0.38324 (10)	0.82555 (7)	0.0245 (2)
C11	0.52238 (9)	0.47165 (12)	0.85584 (9)	0.0288 (3)
H11	0.470896	0.473317	0.844620	0.035*
C12	0.55721 (10)	0.56143 (14)	0.90293 (11)	0.0398 (4)
C13	0.63193 (12)	0.5568 (2)	0.91929 (16)	0.0632 (7)
H13	0.657909	0.615808	0.951651	0.076*
C14	0.66863 (11)	0.4666 (2)	0.88857 (16)	0.0678 (7)
H14	0.720101	0.462974	0.899044	0.081*
C15	0.62980 (9)	0.38109 (16)	0.84226 (11)	0.0393 (4)
H15	0.655461	0.318635	0.821579	0.047*
C16	0.51427 (13)	0.65865 (17)	0.93377 (14)	0.0536 (5)
H16A	0.506739	0.718348	0.889971	0.080*
H16B	0.540910	0.691251	0.985543	0.080*
H16C	0.467130	0.629800	0.945930	0.080*
N21	0.44290 (6)	0.12465 (10)	0.67471 (7)	0.0212 (2)
C21	0.43798 (7)	0.12692 (12)	0.58975 (8)	0.0220 (3)
H21	0.460160	0.189164	0.564102	0.026*
C22	0.40237 (7)	0.04368 (12)	0.53708 (8)	0.0248 (3)
C23	0.37036 (9)	−0.04668 (14)	0.57566 (10)	0.0329 (3)
H23	0.345507	−0.105716	0.542233	0.039*
C24	0.37492 (10)	−0.05012 (15)	0.66333 (10)	0.0381 (4)
H24	0.353266	−0.111351	0.690695	0.046*
C25	0.41140 (8)	0.03678 (13)	0.71022 (9)	0.0294 (3)
H25	0.414269	0.034090	0.770276	0.035*
C26	0.39962 (9)	0.05215 (14)	0.44214 (9)	0.0323 (3)
H26A	0.361753	0.106922	0.419902	0.048*
H26B	0.388635	−0.023684	0.416676	0.048*
H26C	0.446699	0.078720	0.428104	0.048*
O31	0.21100 (8)	0.26594 (14)	0.69605 (11)	0.0553 (4)
H31	0.2297 (17)	0.253 (2)	0.749 (2)	0.081 (10)*
C31	0.2139 (2)	0.1760 (4)	0.6416 (3)	0.0422 (8)	0.5
H31A	0.263961	0.165811	0.627965	0.051*	0.5
H31B	0.181366	0.190337	0.588223	0.051*	0.5
C32	0.1896 (3)	0.0696 (4)	0.6854 (4)	0.0599 (13)	0.5
H32A	0.224565	0.052494	0.735440	0.090*	0.5
H32B	0.187016	0.004215	0.646123	0.090*	0.5
H32C	0.141655	0.083178	0.702817	0.090*	0.5
C31'	0.2032 (3)	0.1313 (6)	0.6797 (3)	0.0653 (13)	0.5
H31C	0.244289	0.088968	0.711492	0.078*	0.5
H31D	0.157185	0.101977	0.696669	0.078*	0.5
C32'	0.2038 (3)	0.1196 (5)	0.5860 (3)	0.0780 (16)	0.5
H32D	0.162597	0.161779	0.555935	0.117*	0.5
H32E	0.200058	0.038053	0.570215	0.117*	0.5
H32F	0.249214	0.151212	0.570516	0.117*	0.5