N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0765 | 0.0000 | 0.0000 | Ba |
2 | 0.8202 | 0.3912 | 0.5000 | 0.0000 | U |
3 | 0.3222 | 0.3942 | 0.3917 | 0.0000 | U |
4 | 0.8302 | 0.3713 | 0.2959 | 0.0000 | Se |
5 | 0.8400 | 0.1460 | 0.5000 | 0.0000 | O |
6 | 0.5040 | 0.3250 | 0.5000 | 0.0000 | O |
7 | 0.1400 | 0.4030 | 0.5000 | 0.0000 | O |
8 | 0.2980 | 0.3630 | 0.0000 | 0.0000 | O |
9 | 0.3570 | 0.6360 | 0.3970 | 0.0000 | O |
10 | 0.3030 | 0.1470 | 0.3850 | 0.0000 | O |
11 | 0.9940 | 0.4330 | 0.3650 | 0.0000 | O |
12 | 0.2920 | 0.4280 | 0.2500 | 0.0000 | O |
13 | 0.6550 | 0.3640 | 0.3620 | 0.0000 | O |
14 | 0.6170 | 0.1190 | 0.0000 | 0.0000 | H2O |
15 | 0.1540 | 0.0990 | 0.1580 | 0.0000 | H2O |