N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3120 | 0.2500 | 0.4110 | 0.0000 | Pb |
2 | 0.3280 | 0.2500 | 0.9668 | 0.0000 | Pb |
3 | 0.9900 | 0.9930 | 0.2438 | 0.0000 | Cu |
4 | 0.3500 | 0.7500 | 0.2093 | 0.0000 | Se |
5 | 0.3347 | 0.7500 | 0.6890 | 0.0000 | Se |
6 | 0.3650 | 0.7500 | 0.0340 | 0.0000 | O |
7 | 0.2460 | 0.5140 | 0.2100 | 0.0000 | O |
8 | 0.5000 | 0.7500 | 0.7550 | 0.0000 | O |
9 | 0.3160 | 0.7500 | 0.5060 | 0.0000 | O |
10 | 0.2640 | 0.9890 | 0.7320 | 0.0000 | O |
11 | 0.0340 | 0.7500 | 0.3880 | 0.0000 | OH |
12 | 0.0770 | 0.2500 | 0.3780 | 0.0000 | OH |
13 | 0.0520 | 0.7500 | 0.8990 | 0.0000 | OH |
14 | 0.0890 | 0.2500 | 0.8930 | 0.0000 | OH |