x	y	z	Uiso*/Ueq	Occ. (<1)
I1	0.500000	0.500000	0.500000	0.01617 (2)
Cl1	0.60222 (2)	0.500000	0.74187 (2)	0.02093 (3)
O1	0.60066 (6)	0.000000	0.96603 (6)	0.02505 (10)
H1	0.543 (3)	0.000000	0.977 (3)	0.038*	0.5
N1	0.70175 (6)	0.000000	0.81090 (6)	0.01741 (9)
C1	0.59151 (7)	0.000000	0.84597 (6)	0.01742 (10)
C2	0.45979 (7)	0.000000	0.74807 (8)	0.02291 (12)
H2A	0.390193	−0.021971	0.790959	0.034*	0.5
H2B	0.457166	−0.106447	0.685527	0.034*	0.5
H2C	0.445707	0.128418	0.703565	0.034*	0.5
C3	0.82909 (8)	0.000000	0.90856 (8)	0.02547 (13)
H3A	0.824028	0.085866	0.980273	0.038*	0.5
H3B	0.897594	0.049926	0.870861	0.038*	0.5
H3C	0.851076	−0.135792	0.940046	0.038*	0.5
C4	0.70493 (8)	0.000000	0.67698 (7)	0.02212 (12)
H4A	0.622560	0.056849	0.623015	0.033*	0.5
H4B	0.714477	−0.136724	0.649508	0.033*	0.5
H4C	0.779897	0.079874	0.668365	0.033*	0.5