| x | y | z | Uiso*/Ueq | ||
| Zn1 | 0.28675 (5) | 0.75148 (3) | 0.25160 (3) | 0.04191 (10) | |
| Se1 | 0.12303 (4) | 0.41702 (3) | 0.29459 (2) | 0.04073 (9) | |
| Se2 | 0.15677 (4) | 1.04989 (3) | 0.33867 (3) | 0.04686 (10) | |
| Cl1 | 0.27521 (13) | 0.62664 (8) | 0.06430 (7) | 0.05663 (19) | |
| Cl2 | 0.53270 (11) | 0.90507 (8) | 0.33168 (8) | 0.05477 (18) | |
| N1 | 0.2184 (3) | 0.5929 (2) | 0.3668 (2) | 0.0382 (4) | |
| N2 | 0.1617 (3) | 0.3407 (2) | 0.4366 (2) | 0.0440 (5) | |
| N3 | 0.0973 (3) | 0.8770 (2) | 0.2511 (2) | 0.0423 (5) | |
| N4 | −0.0058 (3) | 1.1149 (2) | 0.2476 (2) | 0.0439 (5) | |
| C1 | 0.2687 (3) | 0.5849 (3) | 0.4871 (2) | 0.0369 (5) | |
| C2 | 0.3457 (4) | 0.7016 (3) | 0.5778 (3) | 0.0484 (6) | |
| H2B | 0.3642 | 0.7937 | 0.5561 | 0.058* | |
| C3 | 0.3908 (5) | 0.6740 (4) | 0.6958 (3) | 0.0549 (7) | |
| H3A | 0.4396 | 0.7494 | 0.7558 | 0.066* | |
| C4 | 0.3669 (4) | 0.5338 (4) | 0.7330 (3) | 0.0529 (7) | |
| H4B | 0.4025 | 0.5203 | 0.8153 | 0.063* | |
| C5 | 0.2933 (4) | 0.4204 (3) | 0.6502 (3) | 0.0495 (6) | |
| H5A | 0.2780 | 0.3295 | 0.6747 | 0.059* | |
| C6 | 0.2399 (4) | 0.4432 (3) | 0.5250 (2) | 0.0385 (5) | |
| C7 | −0.0380 (4) | 0.8768 (3) | 0.1657 (2) | 0.0391 (5) | |
| C8 | −0.1276 (4) | 0.7592 (3) | 0.0802 (3) | 0.0453 (6) | |
| H8A | −0.0962 | 0.6717 | 0.0811 | 0.054* | |
| C9 | −0.2595 (4) | 0.7790 (3) | −0.0020 (3) | 0.0495 (6) | |
| H9A | −0.3217 | 0.7025 | −0.0564 | 0.059* | |
| C10 | −0.3070 (4) | 0.9128 (4) | −0.0086 (3) | 0.0513 (7) | |
| H10A | −0.3962 | 0.9217 | −0.0687 | 0.062* | |
| C11 | −0.2262 (4) | 1.0266 (3) | 0.0700 (3) | 0.0448 (6) | |
| H11A | −0.2582 | 1.1133 | 0.0639 | 0.054* | |
| C12 | −0.0907 (4) | 1.0119 (3) | 0.1627 (2) | 0.0393 (5) |