| N/N | x/a | y/b | z/c | B(j) | Occupancy |
|---|---|---|---|---|---|
| 1 | 0.8914 | 0.1892 | 0.3078 | 0.0000 | Ca |
| 2 | 0.6765 | 0.5049 | 0.3016 | 0.0000 | Ca |
| 3 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Ca |
| 4 | 0.2073 | 0.2032 | 0.5135 | 0.0000 | Ca |
| 5 | 0.6375 | 0.1562 | 0.4093 | 0.0000 | Zn |
| 6 | 0.8271 | 0.8433 | 0.2441 | 0.0000 | Zn |
| 7 | 0.9236 | 0.1530 | 0.5597 | 0.0000 | Si |
| 8 | 0.7525 | 0.0883 | 0.0632 | 0.0000 | Si |
| 9 | 0.8719 | 0.2115 | 0.1149 | 0.0000 | O |
| 10 | 0.9909 | 0.2356 | 0.4913 | 0.0000 | O |
| 11 | 0.7448 | 0.0184 | 0.1668 | 0.0000 | O |
| 12 | 0.7883 | 0.5282 | 0.4901 | 0.0000 | O |
| 13 | 0.9744 | 0.9434 | 0.3475 | 0.0000 | O |
| 14 | 0.2002 | 0.9459 | 0.5113 | 0.0000 | O |
| 15 | 0.6218 | 0.3216 | 0.4953 | 0.0000 | O |
| 16 | 0.7133 | 0.7609 | 0.3063 | 0.0000 | O |
| 17 | 0.6735 | 0.2462 | 0.2955 | 0.0000 | O |
| 18 | 0.1196 | 0.2057 | 0.3344 | 0.0000 | O |
| 19 | 0.8872 | 0.4537 | 0.3177 | 0.0000 | O |
| 20 | 0.5252 | 0.5475 | 0.1325 | 0.0000 | O |
| 21 | 0.4849 | 0.4760 | 0.3320 | 0.0000 | H2O |
| 22 | 0.4276 | 0.2010 | 0.5374 | 0.0000 | H2O |
| 23 | 0.6373 | 0.8020 | 0.2670 | 0.0000 | H |
| 24 | 0.6180 | 0.2110 | 0.2357 | 0.0000 | H |
| 25 | 0.1430 | 0.1210 | 0.3170 | 0.0000 | H |
| 26 | 0.9250 | 0.4430 | 0.2732 | 0.0000 | H |
| 27 | 0.5640 | 0.5900 | 0.0940 | 0.0000 | H |
| 28 | 0.5230 | 0.4290 | 0.3924 | 0.0000 | H |
| 29 | 0.4840 | 0.2610 | 0.5250 | 0.0000 | H |
| 30 | 0.4105 | 0.5050 | 0.3350 | 0.0000 | H |
| 31 | 0.4710 | 0.1240 | 0.5740 | 0.0000 | H |