| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Co=0.9200, Ni=0.0800 |
| 2 | -0.0078 | 0.1003 | 0.2490 | 0.0000 | Cu=0.9500, Zn=0.0500 |
| 3 | 0.4990 | -0.1504 | 0.2474 | 0.0000 | Cu=0.9500, Zn=0.0500 |
| 4 | 0.3647 | 0.0578 | 0.3740 | 0.0000 | S |
| 5 | 0.3383 | 0.0963 | 0.3121 | 0.0000 | O |
| 6 | 0.6051 | 0.1045 | 0.2094 | 0.0000 | O |
| 7 | 0.8418 | 0.3545 | 0.2884 | 0.0000 | O |
| 8 | 0.1613 | 0.3469 | 0.2153 | 0.0000 | O |
| 9 | 0.1314 | -0.0060 | 0.3922 | 0.0000 | O |
| 10 | 0.4473 | 0.2624 | 0.4023 | 0.0000 | O |
| 11 | 0.5423 | -0.1161 | 0.3864 | 0.0000 | O |
| 12 | 0.9149 | 0.0606 | 0.0826 | 0.0000 | O |
| 13 | 0.3248 | 0.1595 | 0.0178 | 0.0000 | O |
| 14 | 0.1401 | -0.2981 | 0.0286 | 0.0000 | O |
| 15 | 0.5620 | 0.1210 | 0.1802 | 0.0000 | H |
| 16 | 0.8630 | 0.3590 | 0.3206 | 0.0000 | H |
| 17 | 0.1530 | 0.3610 | 0.1842 | 0.0000 | H |
| 18 | 0.8950 | 0.1900 | 0.0889 | 0.0000 | H |
| 19 | 0.8000 | -0.0200 | 0.0898 | 0.0000 | H |
| 20 | 0.4210 | 0.1840 | -0.0070 | 0.0000 | H |
| 21 | 0.3610 | 0.2310 | 0.0461 | 0.0000 | H |
| 22 | 0.0320 | -0.3680 | 0.0424 | 0.0000 | H |
| 23 | 0.2590 | -0.2840 | 0.0478 | 0.0000 | H |