N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cu |
2 | 0.7377 | 0.6272 | 0.0223 | 0.0000 | Fe |
3 | 0.7906 | 0.2869 | 0.1399 | 0.0000 | S |
4 | 0.2502 | 0.5298 | 0.1704 | 0.0000 | S |
5 | 0.0309 | 0.2144 | 0.5549 | 0.0000 | O |
6 | 0.5880 | 0.1470 | 0.5927 | 0.0000 | O |
7 | 0.6687 | 0.2922 | 0.6322 | 0.0000 | O |
8 | 0.8927 | 0.1906 | 0.7713 | 0.0000 | O |
9 | 0.1427 | 0.4554 | 0.0999 | 0.0000 | O |
10 | 0.0705 | 0.5999 | 0.1405 | 0.0000 | O |
11 | 0.5340 | 0.5474 | 0.1267 | 0.0000 | O |
12 | 0.2217 | 0.5128 | 0.3098 | 0.0000 | O |
13 | 0.7150 | 0.0661 | 0.9072 | 0.0000 | O |
14 | 0.3508 | 0.2814 | 0.8570 | 0.0000 | O |
15 | 0.1937 | 0.1065 | 0.0483 | 0.0000 | O |