| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.9545 | 0.0000 | 0.0000 | 0.0000 | Mg=0.7100, Fe=0.0900, Co=0.0500, Ni=0.0400 |
| 2 | 0.5000 | 0.2133 | 0.1318 | 0.0000 | U |
| 3 | 0.0000 | 0.2545 | 0.0877 | 0.0000 | S |
| 4 | 0.0000 | 0.2972 | 0.1605 | 0.0000 | O |
| 5 | 0.0000 | 0.3002 | 0.0144 | 0.0000 | O |
| 6 | 0.1704 | 0.2075 | 0.0840 | 0.0000 | O |
| 7 | 0.5000 | 0.3052 | 0.1237 | 0.0000 | O |
| 8 | 0.5000 | 0.1207 | 0.1378 | 0.0000 | O |
| 9 | 0.3078 | 0.2190 | 0.2500 | 0.0000 | OH |
| 10 | 0.1740 | 0.0727 | 0.9986 | 0.0000 | H2O=0.5000 |
| 11 | 0.2470 | 0.0778 | 0.9757 | 0.0000 | H2O=0.5000 |
| 12 | 0.9470 | 0.0127 | 0.1274 | 0.0000 | H2O=0.5000 |
| 13 | 0.0000 | 0.1136 | 0.2500 | 0.0000 | H2O |
| 14 | 0.2740 | 0.4095 | 0.2500 | 0.0000 | H2O |
| 15 | 0.5660 | 0.9652 | 0.1240 | 0.0000 | H2O=0.5000 |