N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9780 | 0.1860 | 0.0060 | 1.0500 | U |
2 | 0.0000 | 0.3370 | -0.2500 | 1.6200 | Ba |
3 | 0.3460 | -0.0300 | 0.0410 | 1.0900 | V |
4 | 0.4320 | 0.0970 | -0.0230 | 1.1200 | O |
5 | 0.3620 | -0.0070 | 0.1390 | 0.1500 | O |
6 | 0.1510 | 0.0180 | 0.0160 | 2.1400 | O |
7 | 0.2970 | -0.2010 | 0.0180 | 1.1200 | O |
8 | 0.9670 | 0.1850 | 0.1060 | 0.9800 | O |
9 | -0.0160 | 0.1900 | -0.0940 | 2.3800 | O |
10 | 0.7400 | 0.2510 | -0.2020 | 0.1900 | H2O |
11 | 0.1730 | 0.5080 | -0.1880 | 0.1200 | H2O |
12 | 0.0000 | 0.0100 | 0.2500 | 0.0000 | H2O |