| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Mg=0.8250, Fe=0.1750 |
| 2 | 0.1250 | 0.3701 | 0.1250 | 0.0000 | Ca |
| 3 | 0.2500 | 0.2500 | 0.0000 | 0.0000 | C |
| 4 | -0.0351 | 0.2851 | -0.0351 | 0.0000 | B=0.8750 |
| 5 | -0.0117 | 0.2617 | -0.0117 | 0.0000 | Si=0.1250 |
| 6 | 0.3750 | 0.3750 | -0.1250 | 0.0000 | Al=0.1250 |
| 7 | 0.0059 | 0.3603 | 0.0059 | 0.0000 | O=0.8800 |
| 8 | -0.0050 | 0.3700 | -0.0050 | 0.0000 | O=0.1200 |
| 9 | 0.2296 | 0.3330 | 0.0204 | 0.0000 | O=0.5000 |
| 10 | 0.4420 | 0.3080 | -0.0580 | 0.0000 | O=0.1200 |
| 11 | 0.3500 | 0.4000 | -0.1500 | 0.0000 | O=0.1040, (Cl)=0.1040 |