| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.4540 | 0.2115 | 0.2590 | 0.0000 | Ti |
| 2 | 0.1792 | 0.1734 | 0.0072 | 0.0000 | Si |
| 3 | 0.0380 | 0.0466 | 0.7313 | 0.0000 | Si |
| 4 | 0.6429 | 0.3316 | 0.5812 | 0.0000 | Si |
| 5 | 0.2060 | 0.6345 | 0.1516 | 0.0000 | K |
| 6 | 0.4329 | 0.0791 | 0.7053 | 0.0000 | K |
| 7 | 0.4246 | 0.3641 | 0.2444 | 0.0000 | O |
| 8 | 0.3362 | 0.1908 | 0.0496 | 0.0000 | O |
| 9 | 0.5138 | 0.0684 | 0.2711 | 0.0000 | O |
| 10 | 0.5598 | 0.2388 | 0.4894 | 0.0000 | O |
| 11 | 0.6137 | 0.2300 | 0.1015 | 0.0000 | O |
| 12 | 0.3025 | 0.1895 | 0.4276 | 0.0000 | O |
| 13 | 0.0964 | 0.1497 | 0.2015 | 0.0000 | O |
| 14 | 0.1014 | 0.0590 | 0.5198 | 0.0000 | O |
| 15 | 0.1628 | 0.0708 | 0.8769 | 0.0000 | O |
| 16 | 0.6825 | 0.0655 | 0.8764 | 0.0000 | H2O |
| 17 | 0.7480 | 0.0960 | 0.8250 | 0.0000 | H |
| 18 | 0.6560 | 0.1080 | 0.9600 | 0.0000 | H |