N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2488 | 0.5280 | -0.0001 | 0.0000 | Cu |
2 | 0.2590 | 0.7800 | 0.2511 | 0.0000 | Cu |
3 | 0.2596 | 0.2580 | 0.2554 | 0.0000 | Cu |
4 | 0.2497 | 0.5180 | 0.5013 | 0.0000 | Cu |
5 | 0.5331 | 0.4370 | 0.2612 | 0.0000 | Mn |
6 | 0.1151 | 0.2050 | 0.0556 | 0.0000 | S |
7 | 0.3930 | 0.7010 | 0.4800 | 0.0000 | S |
8 | 0.2910 | 0.5410 | 0.1670 | 0.0000 | O |
9 | 0.3060 | 0.0230 | 0.1870 | 0.0000 | O |
10 | 0.1810 | 0.2670 | 0.0740 | 0.0000 | O |
11 | 0.1950 | 0.7360 | 0.0610 | 0.0000 | O |
12 | 0.2960 | 0.2550 | 0.4590 | 0.0000 | O |
13 | 0.3270 | 0.7550 | 0.4450 | 0.0000 | O |
14 | 0.2190 | 0.0260 | 0.3110 | 0.0000 | O |
15 | 0.2180 | 0.5580 | 0.3160 | 0.0000 | O |
16 | 0.0870 | 0.1040 | -0.0650 | 0.0000 | O |
17 | 0.1080 | 0.0330 | 0.1450 | 0.0000 | O |
18 | 0.0830 | 0.4160 | 0.0690 | 0.0000 | O |
19 | 0.4020 | 0.5180 | 0.5700 | 0.0000 | O |
20 | 0.4160 | 0.5860 | 0.3720 | 0.0000 | O |
21 | 0.4230 | 0.9140 | 0.5200 | 0.0000 | O |
22 | 0.5000 | 0.7890 | 0.2360 | 0.0000 | O |
23 | 0.5730 | 0.1180 | 0.2770 | 0.0000 | O |
24 | 0.4710 | 0.1580 | 0.3560 | 0.0000 | O |
25 | 0.4840 | 0.1670 | 0.1100 | 0.0000 | O |