N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5831 | 0.2551 | 0.2947 | 0.0100 | Cu |
2 | 0.4831 | 0.9817 | 0.3440 | 0.0100 | Cu |
3 | 0.5163 | 0.5258 | 0.3612 | 0.0100 | Cu |
4 | 0.6557 | 0.9693 | 0.3692 | 0.0100 | S |
5 | 0.6542 | 0.5428 | 0.2926 | 0.0100 | S |
6 | 0.5018 | 0.7520 | 0.5157 | 0.0100 | S |
7 | 0.6932 | 0.2382 | 0.6287 | 0.0300 | K |
8 | 0.6750 | 0.7639 | 0.5467 | 0.0200 | Na |
9 | 0.5000 | 0.1138 | 0.2500 | 0.0100 | O |
10 | 0.5000 | 0.3978 | 0.2500 | 0.0100 | O |
11 | 0.5983 | 0.9410 | 0.4153 | 0.0200 | O |
12 | 0.7289 | 0.9001 | 0.4300 | 0.0200 | O |
13 | 0.6225 | 0.9216 | 0.2622 | 0.0200 | O |
14 | 0.6691 | 0.1206 | 0.3685 | 0.0200 | O |
15 | 0.6666 | 0.3888 | 0.3106 | 0.0200 | O |
16 | 0.7294 | 0.6130 | 0.3117 | 0.0200 | O |
17 | 0.6193 | 0.6006 | 0.3593 | 0.0200 | O |
18 | 0.5989 | 0.5676 | 0.1863 | 0.0200 | O |
19 | 0.4576 | 0.8540 | 0.4340 | 0.0000 | O |
20 | 0.4440 | 0.6771 | 0.5456 | 0.0200 | O |
21 | 0.5613 | 0.8252 | 0.6058 | 0.0100 | O |
22 | 0.5469 | 0.6474 | 0.4790 | 0.0100 | O |