N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4876 | 0.0846 | 0.0132 | 1.9300 | Na |
2 | 0.1250 | 0.1250 | 0.1250 | 1.8200 | P |
3 | 0.8750 | 0.1250 | 0.1250 | 1.0000 | P |
4 | 0.0000 | 0.0000 | 0.0000 | 1.6200 | F |
5 | 0.1394 | 0.0795 | 0.0971 | 2.4500 | O=0.3330 |
6 | 0.4072 | 0.0809 | 0.1358 | 1.3000 | O |
7 | 0.0719 | 0.0028 | 0.0969 | 2.2600 | O |
8 | 0.4032 | 0.0711 | 0.0108 | 2.0200 | O |
9 | 0.2834 | 0.0358 | 0.0814 | 4.1000 | O |
10 | 0.2012 | 0.2012 | 0.2012 | 4.7400 | Na=0.5000, O=0.5000 |