N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2948 | 0.4339 | 0.2725 | 0.0000 | Ca |
2 | 0.1756 | 0.8374 | 0.6653 | 0.0000 | Ca |
3 | 0.2080 | 0.3790 | 0.7214 | 0.0000 | P |
4 | 0.2958 | 0.9424 | 0.2082 | 0.0000 | P |
5 | 0.3226 | 0.3325 | 0.9380 | 0.0000 | O |
6 | 0.3518 | 0.4924 | 0.6332 | 0.0000 | O |
7 | 0.1387 | 0.1810 | 0.5958 | 0.0000 | O |
8 | 0.0398 | 0.5237 | 0.7459 | 0.0000 | O |
9 | 0.3329 | 0.8363 | 0.0155 | 0.0000 | O |
10 | 0.4592 | 0.1024 | 0.3019 | 0.0000 | O |
11 | 0.0995 | 0.0660 | 0.1639 | 0.0000 | O |
12 | 0.2874 | 0.7896 | 0.3514 | 0.0000 | O |
13 | 0.4550 | 0.2670 | 0.9440 | 0.0000 | H |
14 | 0.0100 | 0.0230 | 0.0340 | 0.0000 | H=0.5000 |
15 | 0.5220 | 0.0900 | 0.4430 | 0.0000 | H=0.5000 |