| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.7398 | 0.5000 | 0.0000 | Ca=0.8900, Mn=0.0700, Y=0.0500 |
| 2 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Fe=0.5900, Mn=0.0400 |
| 3 | -0.0501 | 0.4749 | 0.4973 | 0.0000 | Mn=0.0900 |
| 4 | 0.0000 | 0.0000 | 0.1272 | 0.0000 | Si=0.5600, Nd=0.1100 |
| 5 | 0.0000 | 0.0000 | 0.0789 | 0.0000 | Si=0.5600, Nd=0.1100 |
| 6 | 0.2211 | -0.2211 | 0.0142 | 0.0000 | Na=0.3200 |
| 7 | 0.2468 | -0.2468 | -0.0002 | 0.0000 | Na=0.3300 |
| 8 | 0.5607 | -0.5607 | 0.1181 | 0.0000 | Na=0.5800, K=0.0300, Ca=0.0300 |
| 9 | -0.0766 | 0.0766 | 0.0108 | 0.0000 | Na=0.3300 |
| 10 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Zr |
| 11 | 0.4036 | -0.4036 | 0.0845 | 0.0000 | Si |
| 12 | 0.1249 | -0.1249 | 0.0912 | 0.0000 | Si=0.5000 |
| 13 | 0.1009 | -0.1009 | 0.1040 | 0.0000 | Si=0.5000 |
| 14 | 0.3397 | 0.2761 | 0.0698 | 0.0000 | Si |
| 15 | 0.2715 | -0.2715 | 0.0887 | 0.0000 | O |
| 16 | 0.4474 | -0.4474 | 0.1228 | 0.0000 | O |
| 17 | 0.4278 | -0.4278 | 0.0352 | 0.0000 | O |
| 18 | 0.2330 | 0.2877 | 0.0596 | 0.0000 | O=0.5000 |
| 19 | 0.2084 | 0.2385 | 0.0650 | 0.0000 | O=0.5000 |
| 20 | 0.1530 | -0.1530 | 0.1381 | 0.0000 | O |
| 21 | 0.0601 | -0.0601 | 0.0934 | 0.0000 | O |
| 22 | 0.4369 | 0.3645 | 0.0405 | 0.0000 | O |
| 23 | 0.3667 | 0.2886 | 0.1218 | 0.0000 | O |
| 24 | 0.8434 | -0.8434 | 0.0518 | 0.0000 | O |
| 25 | 0.0618 | -0.0618 | 0.8391 | 0.0000 | O=0.0500 |
| 26 | -0.1183 | 0.4409 | 0.4965 | 0.0000 | O=0.1000 |
| 27 | 0.0000 | 0.0000 | 0.0269 | 0.0000 | O=0.0600 |
| 28 | 0.0000 | 0.0000 | 0.7410 | 0.0000 | (Cl)=0.0300 |
| 29 | 0.0206 | -0.0206 | 0.7003 | 0.0000 | (Cl)=0.0800 |
| 30 | 0.0509 | -0.0509 | 0.8068 | 0.0000 | (Cl)=0.0400 |
| 31 | 0.0000 | 0.0000 | 0.7890 | 0.0000 | (Cl)=0.0800 |
| 32 | 0.0000 | 0.0000 | 0.6877 | 0.0000 | (Cl)=0.0500 |
| 33 | 0.0398 | -0.0398 | 0.7780 | 0.0000 | (Cl)=0.0600 |