N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4229 | 0.1063 | 0.0340 | 0.0000 | Mg |
2 | 0.7266 | 0.1839 | 0.4905 | 0.0000 | S |
3 | 0.6853 | 0.0750 | 0.4279 | 0.0000 | O |
4 | 0.8506 | 0.1868 | 0.4821 | 0.0000 | O |
5 | 0.6884 | 0.2063 | 0.6904 | 0.0000 | O |
6 | 0.6808 | 0.2716 | 0.3605 | 0.0000 | O |
7 | 0.2655 | 0.1746 | 0.0038 | 0.0000 | O |
8 | 0.4716 | 0.2478 | 0.1992 | 0.0000 | O |
9 | 0.4691 | 0.1758 | 0.7796 | 0.0000 | O |
10 | 0.5828 | 0.0463 | 0.0773 | 0.0000 | O |
11 | 0.3761 | 0.9620 | 0.8889 | 0.0000 | O |
12 | 0.3622 | 0.0342 | 0.2907 | 0.0000 | O |
13 | 0.4916 | 0.4377 | 0.9384 | 0.0000 | O |
14 | 0.2440 | 0.2290 | 0.1050 | 0.0000 | H |
15 | 0.2340 | 0.2060 | 0.8880 | 0.0000 | H |
16 | 0.4350 | 0.2700 | 0.3300 | 0.0000 | H |
17 | 0.5330 | 0.2460 | 0.2680 | 0.0000 | H |
18 | 0.4190 | 0.2340 | 0.6640 | 0.0000 | H |
19 | 0.5490 | 0.1880 | 0.7550 | 0.0000 | H |
20 | 0.6320 | 0.0550 | 0.2120 | 0.0000 | H |
21 | 0.6000 | 0.9830 | 0.0250 | 0.0000 | H |
22 | 0.3560 | 0.9060 | 0.9610 | 0.0000 | H |
23 | 0.4280 | 0.9460 | 0.7680 | 0.0000 | H |
24 | 0.2810 | 0.0330 | 0.3200 | 0.0000 | H |
25 | 0.3850 | 0.0080 | 0.4140 | 0.0000 | H |
26 | 0.4310 | 0.4920 | 0.9750 | 0.0000 | H |
27 | 0.4650 | 0.3700 | 0.0080 | 0.0000 | H |