N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.8000 | K |
2 | 0.5000 | 0.0000 | 0.0000 | 1.5800 | Na |
3 | 0.6667 | 0.3333 | 0.3757 | 1.8200 | Na |
4 | 0.0000 | 0.0000 | 0.3265 | 1.6600 | Na |
5 | 0.3468 | 0.1467 | 0.2500 | 2.1100 | Na |
6 | 0.1788 | 0.3611 | 0.4257 | 1.8900 | Na |
7 | 0.5226 | 0.5337 | 0.6610 | 1.7600 | Na |
8 | 0.6667 | 0.3333 | 0.2500 | 2.4400 | (Cl) |
9 | 0.6667 | 0.3333 | 0.5695 | 1.0400 | C |
10 | 0.2085 | 0.3568 | 0.2500 | 1.1800 | S |
11 | 0.3387 | 0.1683 | 0.4091 | 1.0100 | S |
12 | 0.5956 | 0.4035 | 0.5699 | 1.3700 | O |
13 | 0.3559 | 0.3688 | 0.2500 | 1.9400 | O |
14 | 0.0925 | 0.2013 | 0.2500 | 1.8800 | O |
15 | 0.1980 | 0.4302 | 0.3071 | 2.4600 | O |
16 | 0.3898 | 0.1134 | 0.3567 | 2.0200 | O |
17 | 0.1961 | 0.1554 | 0.3941 | 1.9600 | O |
18 | 0.4479 | 0.3237 | 0.4197 | 1.9500 | O |
19 | 0.3229 | 0.0801 | 0.4657 | 1.8700 | O |