| x | y | z | Uiso*/Ueq | ||
| Zn1 | 0.31800 (2) | 0.46454 (3) | 0.54363 (2) | 0.00759 (6) | |
| O1 | 0.36049 (10) | 0.62987 (16) | 0.47301 (9) | 0.0114 (3) | |
| O2 | 0.31034 (13) | 0.30400 (19) | 0.45168 (11) | 0.0159 (3) | |
| H2O | 0.276 (2) | 0.240 (3) | 0.4386 (19) | 0.027 (9)* | |
| H2P | 0.350 (2) | 0.281 (4) | 0.439 (2) | 0.043 (11)* | |
| O3 | 0.44977 (11) | 0.3899 (2) | 0.60794 (10) | 0.0125 (3) | |
| H3O | 0.4493 (17) | 0.310 (3) | 0.6204 (16) | 0.012 (7)* | |
| H3P | 0.478 (2) | 0.433 (3) | 0.653 (2) | 0.027 (8)* | |
| O4 | 0.27068 (12) | 0.31855 (17) | 0.62168 (10) | 0.0107 (3) | |
| H4O | 0.2351 (18) | 0.260 (3) | 0.6034 (16) | 0.012 (7)* | |
| H4P | 0.311 (2) | 0.274 (3) | 0.6540 (19) | 0.026 (8)* | |
| O5 | 0.32040 (12) | 0.64584 (19) | 0.62565 (10) | 0.0147 (3) | |
| H5O | 0.338 (2) | 0.648 (4) | 0.679 (2) | 0.037 (9)* | |
| H5P | 0.309 (2) | 0.728 (4) | 0.609 (2) | 0.041 (10)* | |
| O6 | 0.17863 (11) | 0.51996 (18) | 0.48529 (10) | 0.0107 (3) | |
| H6O | 0.1613 (18) | 0.600 (3) | 0.4584 (16) | 0.025 (8)* | |
| H6P | 0.1389 (16) | 0.463 (3) | 0.4648 (17) | 0.018 (7)* | |
| C1 | 0.31089 (15) | 0.6545 (2) | 0.39870 (13) | 0.0127 (4) | |
| H1 | 0.267624 | 0.577353 | 0.372375 | 0.015* | |
| N1 | 0.31404 (12) | 0.7783 (2) | 0.35441 (11) | 0.0126 (4) | |
| C2 | 0.37449 (17) | 0.9071 (3) | 0.38953 (16) | 0.0207 (5) | |
| H2A | 0.339767 | 0.991473 | 0.403582 | 0.031* | |
| H2B | 0.402328 | 0.943400 | 0.348019 | 0.031* | |
| H2C | 0.422078 | 0.873260 | 0.440631 | 0.031* | |
| C3 | 0.24580 (16) | 0.8028 (3) | 0.27197 (15) | 0.0230 (5) | |
| H3A | 0.208105 | 0.710072 | 0.255621 | 0.035* | |
| H3B | 0.276127 | 0.823842 | 0.229986 | 0.035* | |
| H3C | 0.207451 | 0.891060 | 0.275052 | 0.035* | |
| V1 | 0.66396 (2) | 0.54542 (4) | 0.97966 (2) | 0.00519 (8) | |
| V2 | 0.48442 (2) | 0.68753 (4) | 0.99591 (2) | 0.00468 (8) | |
| V3 | 0.54965 (2) | 0.33633 (4) | 0.83349 (2) | 0.00615 (8) | |
| V4 | 0.37025 (2) | 0.46974 (4) | 0.84932 (2) | 0.00550 (8) | |
| V5 | 0.51936 (2) | 0.68687 (4) | 0.82367 (2) | 0.00627 (8) | |
| O7 | 0.63516 (9) | 0.70057 (15) | 0.90117 (8) | 0.0068 (3) | |
| O8 | 0.48640 (9) | 0.80713 (15) | 0.91677 (8) | 0.0066 (3) | |
| O9 | 0.76998 (9) | 0.57672 (15) | 1.03142 (9) | 0.0079 (3) | |
| O10 | 0.60927 (9) | 0.67399 (15) | 1.05199 (8) | 0.0057 (3) | |
| O11 | 0.45500 (9) | 0.79640 (15) | 1.06789 (8) | 0.0066 (3) | |
| O12 | 0.57404 (10) | 0.20530 (16) | 0.77742 (9) | 0.0102 (3) | |
| O13 | 0.42410 (9) | 0.32537 (15) | 0.79962 (8) | 0.0067 (3) | |
| O14 | 0.26409 (10) | 0.43520 (16) | 0.80457 (9) | 0.0096 (3) | |
| O15 | 0.66637 (9) | 0.39324 (15) | 0.90763 (8) | 0.0068 (3) | |
| O16 | 0.51531 (9) | 0.50621 (14) | 0.92593 (8) | 0.0055 (3) | |
| O17 | 0.36261 (9) | 0.60759 (15) | 0.94154 (8) | 0.0061 (3) | |
| O18 | 0.54495 (10) | 0.51674 (15) | 0.77235 (9) | 0.0072 (3) | |
| O19 | 0.39504 (9) | 0.63135 (15) | 0.79227 (8) | 0.0070 (3) | |
| O20 | 0.51633 (10) | 0.82531 (16) | 0.75840 (9) | 0.0107 (3) | |
| N2 | 0.13802 (14) | 0.5436 (2) | 0.65462 (12) | 0.0091 (4) | |
| H2R | 0.0918 (19) | 0.476 (3) | 0.6319 (17) | 0.017 (7)* | |
| H2S | 0.176 (2) | 0.502 (3) | 0.691 (2) | 0.024 (8)* | |
| H2T | 0.1165 (18) | 0.620 (3) | 0.6764 (16) | 0.019 (7)* | |
| H2Q | 0.165 (2) | 0.572 (3) | 0.618 (2) | 0.031 (8)* | |
| O21 | 0.41424 (12) | 0.08923 (19) | 0.64987 (12) | 0.0191 (4) | |
| H21A | 0.446 (2) | 0.032 (3) | 0.6837 (18) | 0.036 (9)* | |
| H21B | 0.3783 (19) | 0.042 (3) | 0.6175 (18) | 0.037 (10)* | |
| O22 | 0.46542 (13) | 0.2601 (2) | 0.41289 (12) | 0.0260 (4) | |
| H22A | 0.472 (2) | 0.250 (4) | 0.3693 (16) | 0.040 (10)* | |
| H22B | 0.5092 (18) | 0.296 (4) | 0.4460 (18) | 0.039 (10)* |