| x | y | z | Uiso*/Ueq | ||
| Cd1 | 0.21887 (2) | 0.26013 (2) | 0.26053 (2) | 0.01330 (5) | |
| S1 | 0.25524 (6) | 0.61729 (5) | 0.01217 (5) | 0.01018 (8) | |
| O1 | 0.13754 (18) | 0.50022 (16) | −0.15811 (17) | 0.0183 (2) | |
| O2 | 0.1103 (2) | 0.75977 (15) | −0.00480 (19) | 0.0169 (3) | |
| O3 | 0.32756 (18) | 0.51255 (16) | 0.19211 (17) | 0.0168 (2) | |
| O4 | 0.43393 (18) | 0.69973 (18) | 0.02148 (18) | 0.0184 (2) | |
| O5 | 0.27603 (19) | 0.09752 (16) | 0.03844 (17) | 0.0140 (2) | |
| H5A | 0.400 (3) | 0.074 (4) | 0.110 (3) | 0.038 (7)* | |
| H5B | 0.216 (3) | −0.005 (2) | 0.016 (3) | 0.023 (6)* |