N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.5000 | 3.1400 | Ba |
2 | 0.0000 | 0.0000 | 0.0000 | 2.0700 | Th |
3 | 0.0941 | 0.4112 | 0.8748 | 3.4200 | Na |
4 | 0.1489 | 0.6589 | 0.8560 | 2.7000 | C |
5 | 0.2028 | 0.1408 | 0.0798 | 3.0000 | O |
6 | 0.0737 | 0.1357 | 0.2297 | 2.8000 | O |
7 | 0.2708 | 0.0245 | 0.7379 | 3.0000 | O |
8 | 0.0893 | 0.5710 | 0.2127 | 3.3000 | O |