x	y	z	Uiso*/Ueq
Ni1	0.5000	0.0000	0.5000	0.00840 (16)
O1	−0.0786 (4)	0.04089 (13)	0.29703 (18)	0.0135 (5)
O2	−0.1778 (4)	0.11616 (14)	0.16276 (17)	0.0145 (5)
O3	−0.0150 (4)	0.39248 (14)	0.27901 (19)	0.0151 (5)
H31	−0.011 (8)	0.428 (3)	0.317 (4)	0.027 (13)*
O4	0.3941 (4)	0.32984 (14)	0.18014 (18)	0.0160 (5)
O5	0.3225 (4)	0.04752 (14)	0.59662 (18)	0.0128 (5)
H51	0.372 (9)	0.068 (3)	0.653 (3)	0.051 (17)*
H52	0.245 (8)	0.014 (3)	0.616 (5)	0.054 (18)*
O6	0.7696 (4)	0.03386 (14)	0.58654 (19)	0.0148 (5)
H61	0.803 (7)	0.0796 (16)	0.609 (3)	0.026 (12)*
H62	0.851 (7)	0.000 (3)	0.618 (4)	0.041 (16)*
O7	0.0025 (4)	0.51961 (15)	0.40009 (19)	0.0168 (5)
H71	−0.018 (9)	0.508 (4)	0.453 (2)	0.050*
H72	−0.101 (6)	0.548 (3)	0.380 (4)	0.047 (17)*
O8	0.0926 (4)	0.06780 (16)	0.04380 (19)	0.0192 (5)
H81	0.196 (5)	0.060 (4)	0.077 (4)	0.050*
H82	0.021 (7)	0.082 (3)	0.085 (3)	0.047 (17)*
N1	0.4858 (4)	0.10763 (15)	0.4259 (2)	0.0098 (5)
N2	0.5148 (5)	0.39569 (17)	0.3228 (2)	0.0140 (6)
H21	0.525 (7)	0.439 (3)	0.296 (3)	0.017 (11)*
H22	0.559 (8)	0.396 (3)	0.385 (4)	0.030 (13)*
C1	−0.1092 (5)	0.10742 (18)	0.2549 (2)	0.0112 (6)
C2	−0.0587 (5)	0.18065 (18)	0.3173 (2)	0.0106 (6)
C3	−0.0642 (5)	0.25416 (18)	0.2706 (2)	0.0110 (6)
H3	−0.1005	0.2580	0.2013	0.013*
C4	−0.0156 (5)	0.32139 (18)	0.3277 (3)	0.0120 (6)
C5	0.0358 (5)	0.31639 (19)	0.4314 (3)	0.0130 (6)
H5	0.0684	0.3619	0.4694	0.016*
C6	0.0386 (5)	0.2433 (2)	0.4783 (3)	0.0137 (6)
H6	0.0707	0.2399	0.5478	0.016*
C7	−0.0068 (5)	0.17514 (19)	0.4214 (2)	0.0121 (6)
H7	−0.0026	0.1261	0.4526	0.015*
C8	0.4370 (5)	0.11290 (18)	0.3253 (2)	0.0113 (6)
H8	0.4102	0.0666	0.2884	0.014*
C9	0.4250 (5)	0.18391 (18)	0.2748 (2)	0.0119 (6)
H9	0.3897	0.1851	0.2053	0.014*
C10	0.4660 (5)	0.25372 (18)	0.3287 (2)	0.0106 (6)
C11	0.5176 (5)	0.24858 (18)	0.4322 (2)	0.0124 (6)
H11	0.5467	0.2940	0.4706	0.015*
C12	0.5253 (5)	0.17508 (19)	0.4776 (2)	0.0118 (6)
H12	0.5594	0.1724	0.5471	0.014*
C13	0.4552 (5)	0.33050 (18)	0.2717 (2)	0.0115 (6)