| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
| 2 | 0.5710 | 0.1250 | 0.2050 | 0.0000 | Na |
| 3 | 0.2390 | 0.1170 | 0.5470 | 0.0000 | S |
| 4 | 0.0070 | 0.1730 | 0.4910 | 0.0000 | O |
| 5 | 0.2820 | 0.0560 | 0.7860 | 0.0000 | O |
| 6 | 0.2330 | 0.0420 | 0.3360 | 0.0000 | O |
| 7 | 0.4410 | 0.1930 | 0.5710 | 0.0000 | O |
| 8 | 0.8280 | 0.1340 | 0.9510 | 0.0000 | O |