| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.2500 | 0.0000 | K |
| 2 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | K=0.1050 |
| 3 | 0.3333 | 0.6667 | 0.4016 | 0.0000 | Ca=0.3900 |
| 4 | 0.6667 | 0.3333 | 0.4186 | 0.0000 | Ca=0.2060, Na=0.0330 |
| 5 | 0.6667 | 0.3333 | 0.2951 | 0.0000 | Mg=0.1500, Ca=0.0600 |
| 6 | 0.2340 | -0.0002 | 0.1046 | 0.0000 | Si=0.8600, Al=0.1400 |
| 7 | 0.3317 | 0.9062 | 0.2500 | 0.0000 | Si=0.6600, Al=0.3400 |
| 8 | 0.3224 | 0.9722 | 0.1611 | 0.0000 | O |
| 9 | 0.0978 | 0.9022 | 0.1262 | 0.0000 | O |
| 10 | 0.2521 | 0.1261 | 0.1352 | 0.0000 | O |
| 11 | 0.2650 | 0.0000 | 0.0000 | 0.0000 | O |
| 12 | 0.2310 | 0.7690 | 0.2500 | 0.0000 | O |
| 13 | 0.4586 | 0.9171 | 0.2500 | 0.0000 | O |
| 14 | 0.5060 | 0.2529 | 0.5049 | 0.0000 | H2O=0.6200 |
| 15 | 0.5130 | 0.2565 | 0.2026 | 0.0000 | H2O=0.3500 |
| 16 | 0.8370 | 0.4186 | 0.3759 | 0.0000 | H2O=0.6100 |
| 17 | 0.4850 | 0.2420 | 0.2500 | 0.0000 | H2O=0.3000 |
| 18 | 0.3333 | 0.6667 | 0.2500 | 0.0000 | H2O=0.1200 |
| 19 | 0.4487 | 0.8974 | -0.0118 | 0.0000 | H2O=0.3000 |