N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2890 | 0.3760 | 0.0260 | 0.0000 | Cu |
2 | 0.6890 | 0.5680 | 0.0530 | 0.0000 | Cu |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | I |
4 | 0.1220 | 0.4930 | 0.9760 | 0.0000 | O |
5 | 0.6667 | 0.3333 | 0.9930 | 0.0000 | O |
6 | 0.2520 | 0.1290 | 0.9500 | 0.0000 | O |
7 | 0.4560 | 0.3560 | 0.1210 | 0.0000 | O |
8 | 0.0720 | 0.2190 | 0.1240 | 0.0000 | O |
9 | 0.3333 | 0.6667 | 0.1040 | 0.0000 | (Cl) |
10 | 0.0510 | 0.4650 | 0.9110 | 0.0000 | H |
11 | 0.6667 | 0.3333 | 0.9150 | 0.0000 | H |
12 | 0.0510 | 0.1500 | 0.1890 | 0.0000 | H |
13 | 0.4610 | 0.3130 | 0.1930 | 0.0000 | H |