x	y	z	Uiso*/Ueq	Occ. (<1)
Ni1	0.564621 (16)	0.435379 (16)	−0.064621 (16)	0.0428 (2)
P1	0.7500	0.6250	1.0000	0.0427 (4)	0.67
S1	0.7500	0.6250	1.0000	0.0427 (4)	0.33
N1	0.64773 (10)	0.44469 (11)	−0.06574 (11)	0.0443 (6)
N2	0.71668 (10)	0.50117 (12)	−0.06248 (11)	0.0498 (7)
H2B	0.7340	0.5309	−0.0604	0.060*
N3	0.56297 (10)	0.42828 (11)	0.02009 (10)	0.0444 (6)
N4	0.55652 (11)	0.37290 (12)	0.08942 (11)	0.0502 (7)
H4B	0.5538	0.3435	0.1072	0.060*
C1	0.69498 (13)	0.41559 (13)	−0.06917 (13)	0.0462 (8)
C2	0.70405 (15)	0.36114 (16)	−0.07434 (15)	0.0594 (9)
H2	0.6758	0.3370	−0.0763	0.071*
C3	0.75637 (17)	0.34409 (18)	−0.07642 (16)	0.0744 (13)
H3	0.7638	0.3077	−0.0797	0.089*
C4	0.79858 (16)	0.3808 (2)	−0.07359 (16)	0.0707 (12)
H4	0.8335	0.3679	−0.0750	0.085*
C5	0.79104 (13)	0.43383 (18)	−0.06895 (15)	0.0627 (10)
H5	0.8197	0.4576	−0.0670	0.075*
C6	0.73810 (12)	0.45147 (14)	−0.06724 (14)	0.0473 (8)
C7	0.66286 (13)	0.49523 (14)	−0.06164 (13)	0.0443 (8)
C8	0.56226 (15)	0.45873 (13)	0.06673 (14)	0.0487 (9)
C9	0.56566 (17)	0.51278 (15)	0.07424 (15)	0.0645 (11)
H9	0.5681	0.5363	0.0455	0.077*
C10	0.5653 (2)	0.53090 (18)	0.12671 (19)	0.0848 (13)
H10	0.5672	0.5675	0.1333	0.102*
C11	0.5623 (2)	0.49628 (19)	0.16920 (17)	0.0863 (14)
H11	0.5627	0.5102	0.2037	0.104*
C12	0.55859 (18)	0.44183 (18)	0.16272 (14)	0.0698 (11)
H12	0.5562	0.4186	0.1917	0.084*
C13	0.55865 (13)	0.42369 (14)	0.11042 (13)	0.0489 (8)
C14	0.55946 (13)	0.37792 (14)	0.03571 (13)	0.0443 (8)
O1	0.77314 (11)	0.59036 (9)	0.95604 (10)	0.0629 (7)