N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3114 | 0.6258 | 0.0096 | 0.0000 | Y |
2 | 0.8016 | 0.8743 | -0.0101 | 0.0000 | Y |
3 | 0.4232 | 0.6251 | 0.3243 | 0.0000 | Na |
4 | 0.6022 | 0.8753 | -0.3231 | 0.0000 | Na |
5 | 0.2400 | 0.8730 | -0.0492 | 0.0000 | C |
6 | 0.8720 | 0.8738 | 0.2092 | 0.0000 | C |
7 | -0.2110 | 0.6269 | 0.0466 | 0.0000 | C |
8 | 0.1690 | 0.6262 | -0.2115 | 0.0000 | C |
9 | 0.1217 | 0.9532 | -0.0496 | 0.0000 | O |
10 | 0.1513 | 0.7890 | -0.0331 | 0.0000 | O |
11 | 0.4350 | 0.8794 | -0.0622 | 0.0000 | O |
12 | 0.0296 | 0.8604 | 0.1608 | 0.0000 | O |
13 | 0.6771 | 0.8886 | 0.1516 | 0.0000 | O |
14 | 0.9090 | 0.8711 | 0.3079 | 0.0000 | O |
15 | 0.3325 | 0.4531 | -0.0506 | 0.0000 | O |
16 | 0.6827 | 0.7133 | 0.0332 | 0.0000 | O |
17 | -0.0049 | 0.6204 | 0.0612 | 0.0000 | O |
18 | 0.0300 | 0.6114 | -0.1524 | 0.0000 | O |
19 | 0.3732 | 0.6395 | -0.1602 | 0.0000 | O |
20 | 0.1110 | 0.6278 | -0.3104 | 0.0000 | O |
21 | 0.6736 | 0.9851 | -0.1662 | 0.0000 | H2O |
22 | 0.7168 | 0.7657 | -0.1714 | 0.0000 | H2O |
23 | 0.3380 | 0.5153 | 0.1656 | 0.0000 | H2O |
24 | 0.3866 | 0.7340 | 0.1714 | 0.0000 | H2O |
25 | 0.7780 | 0.5549 | 0.4006 | 0.0000 | H2O |
26 | 0.6050 | 0.7928 | 0.4110 | 0.0000 | H2O |
27 | 0.4120 | 0.7126 | -0.4058 | 0.0000 | H2O |
28 | 0.8980 | 0.8102 | -0.3901 | 0.0000 | H2O |
29 | 0.2380 | 0.9481 | -0.3908 | 0.0000 | H2O |
30 | 0.1240 | 0.6902 | 0.3876 | 0.0000 | H2O |
31 | 0.7040 | 0.5437 | 0.6008 | 0.0000 | H2O |
32 | 0.6980 | 0.0411 | -0.4079 | 0.0000 | H2O |