| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Co=0.6200, Ni=0.3200, Zn=0.0600 |
| 2 | -0.0077 | 0.1036 | 0.2489 | 0.0000 | Cu=0.9500, Zn=0.0500 |
| 3 | 0.4987 | -0.1474 | 0.2473 | 0.0000 | Cu=0.9500, Zn=0.0500 |
| 4 | 0.3660 | 0.0585 | 0.3743 | 0.0000 | S |
| 5 | 0.3392 | 0.0984 | 0.3124 | 0.0000 | O |
| 6 | 0.6043 | 0.1076 | 0.2088 | 0.0000 | O |
| 7 | 0.8426 | 0.3575 | 0.2885 | 0.0000 | O |
| 8 | 0.1620 | 0.3508 | 0.2155 | 0.0000 | O |
| 9 | 0.1310 | -0.0072 | 0.3926 | 0.0000 | O |
| 10 | 0.4483 | 0.2639 | 0.4034 | 0.0000 | O |
| 11 | 0.5444 | -0.1169 | 0.3867 | 0.0000 | O |
| 12 | 0.9182 | 0.0595 | 0.0831 | 0.0000 | O |
| 13 | 0.3262 | 0.1542 | 0.0177 | 0.0000 | O |
| 14 | 0.1382 | -0.2989 | 0.0280 | 0.0000 | O |
| 15 | 0.5450 | 0.1330 | 0.1728 | 0.0000 | H |
| 16 | 0.8660 | 0.3580 | 0.3260 | 0.0000 | H |
| 17 | 0.1520 | 0.3650 | 0.1815 | 0.0000 | H |
| 18 | 0.8820 | 0.1980 | 0.0960 | 0.0000 | H |
| 19 | 0.7930 | -0.0230 | 0.0912 | 0.0000 | H |
| 20 | 0.4250 | 0.2150 | -0.0055 | 0.0000 | H |
| 21 | 0.3780 | 0.2320 | 0.0483 | 0.0000 | H |
| 22 | 0.0420 | -0.3680 | 0.0487 | 0.0000 | H |
| 23 | 0.2720 | -0.2820 | 0.0523 | 0.0000 | H |