| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.4949 | 0.7466 | 0.2431 | 0.0000 | Mn=0.9500 |
| 2 | 0.6610 | 0.5029 | 0.7456 | 0.0000 | Al=0.6850, Fe=0.3150 |
| 3 | 0.5000 | 0.5000 | 0.5000 | 0.0000 | Al=0.5600, Ti=0.4400 |
| 4 | 0.9090 | 0.5939 | 0.8027 | 0.0000 | P |
| 5 | 0.5855 | 0.5888 | 0.2971 | 0.0000 | P |
| 6 | 0.7178 | 0.8535 | 0.0595 | 0.0000 | K=0.4730, O=0.5270 |
| 7 | 0.6415 | 0.5029 | 0.5977 | 0.0000 | F |
| 8 | 0.9028 | 0.6672 | 0.8080 | 0.0000 | O |
| 9 | 0.0279 | 0.5708 | 0.7410 | 0.0000 | O |
| 10 | 0.9099 | 0.5664 | 0.9198 | 0.0000 | O |
| 11 | 0.7881 | 0.5699 | 0.7447 | 0.0000 | O |
| 12 | 0.5921 | 0.6627 | 0.2901 | 0.0000 | O |
| 13 | 0.4631 | 0.5653 | 0.2370 | 0.0000 | O |
| 14 | 0.5820 | 0.5656 | 0.4144 | 0.0000 | O |
| 15 | 0.7071 | 0.5623 | 0.2400 | 0.0000 | O |
| 16 | 0.3455 | 0.6849 | 0.1774 | 0.0000 | O |
| 17 | 0.5823 | 0.7409 | 0.0779 | 0.0000 | O |
| 18 | 0.6447 | 0.8072 | 0.3119 | 0.0000 | O |
| 19 | 0.4009 | 0.7516 | 0.4054 | 0.0000 | O |
| 20 | 0.6639 | 0.5027 | 0.9123 | 0.0000 | O |
| 21 | 0.2614 | 0.6400 | 0.4407 | 0.0000 | O |
| 22 | 0.5328 | 0.4084 | 0.0119 | 0.0000 | O |