| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
| 2 | 0.2500 | 0.7500 | 0.2500 | 0.0000 | Na |
| 3 | 0.0000 | 0.2500 | 0.2526 | 0.0000 | C |
| 4 | 0.0000 | 0.2500 | 0.1326 | 0.0000 | O |
| 5 | 0.0000 | 0.0474 | 0.3156 | 0.0000 | O |
| 6 | 0.1811 | 0.2500 | 0.5250 | 0.0000 | O |
| 7 | 0.2750 | 0.2500 | 0.4780 | 0.0000 | H |