| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.5248 | 0.0000 | 0.0522 | 0.0000 | K=0.3600 |
| 2 | 0.5000 | -0.0340 | 0.0000 | 0.0000 | K=0.0130 |
| 3 | 0.0000 | 0.2800 | 0.5000 | 0.0000 | Ca=0.9360 |
| 4 | 0.0000 | 0.2550 | 0.5000 | 0.0000 | Ca=0.0150 |
| 5 | 0.0000 | 0.0912 | 0.5000 | 0.0000 | Fe=0.5190, Mg=0.4810 |
| 6 | 0.5000 | 0.3220 | 0.0000 | 0.0000 | Fe=0.6190, Mg=0.3810 |
| 7 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Fe=0.5420, Mg=0.4580 |
| 8 | 0.2787 | 0.0854 | 0.3021 | 0.0000 | Si=0.9290, Al=0.0710 |
| 9 | 0.2905 | 0.1726 | 0.8109 | 0.0000 | Si=0.9440, Al=0.0460 |
| 10 | 0.1059 | 0.0890 | 0.2165 | 0.0000 | O |
| 11 | 0.1211 | 0.1752 | 0.7306 | 0.0000 | O |
| 12 | 0.1156 | 0.0000 | 0.7159 | 0.0000 | F=0.9900, O=0.0100 |
| 13 | 0.3670 | 0.2491 | 0.7919 | 0.0000 | O |
| 14 | 0.3474 | 0.1373 | 0.1044 | 0.0000 | O |
| 15 | 0.3437 | 0.1195 | 0.6024 | 0.0000 | O |
| 16 | 0.3364 | 0.0000 | 0.2937 | 0.0000 | O |