| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.6667 | 0.3333 | 0.1094 | 1.3300 | Ca=0.6400, Fe=0.2200, Zn=0.1500 |
| 2 | 0.0000 | 0.0000 | 0.3557 | 0.8300 | Ca=0.6400, Fe=0.2200, Zn=0.1500 |
| 3 | 0.0000 | 0.0000 | 0.0000 | 0.5000 | S |
| 4 | 0.6667 | 0.3333 | 0.4629 | 1.1900 | (S) |
| 5 | 0.3333 | 0.6667 | 0.7380 | 0.7000 | Na |