N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3700 | 0.5960 | 0.0805 | 1.0900 | Mn |
2 | 0.4401 | 0.6121 | 0.4243 | 1.2900 | Al |
3 | 0.6868 | 0.3432 | 0.1978 | 1.2400 | Al |
4 | 0.0866 | 0.2440 | 0.5266 | 1.4500 | S |
5 | 0.9642 | 0.4651 | 0.3882 | 1.3200 | S |
6 | 0.1419 | 0.1941 | 0.2560 | 1.4900 | S |
7 | 0.1603 | 0.4728 | 0.1045 | 1.5900 | S |
8 | 0.1310 | 0.2170 | 0.4679 | 2.8100 | O |
9 | 0.0271 | 0.3022 | 0.5126 | 2.2300 | O |
10 | -0.0941 | 0.2154 | 0.5490 | 2.4700 | O |
11 | 0.2866 | 0.2426 | 0.5763 | 2.7500 | O |
12 | 0.0118 | 0.4371 | 0.3311 | 2.4000 | O |
13 | 0.9042 | 0.5228 | 0.3727 | 2.2100 | O |
14 | 0.1656 | 0.4644 | 0.4380 | 2.5100 | O |
15 | 0.7860 | 0.4360 | 0.4119 | 2.8300 | O |
16 | 0.1249 | 0.1833 | 0.3228 | 3.2000 | O |
17 | 0.2217 | 0.2505 | 0.2490 | 2.5800 | O |
18 | -0.0809 | 0.1890 | 0.2155 | 2.6700 | O |
19 | 0.2933 | 0.1541 | 0.2342 | 2.5600 | O |
20 | 0.1610 | 0.4437 | 0.1659 | 2.7400 | O |
21 | 0.2279 | 0.4341 | 0.0593 | 3.6500 | O |
22 | -0.0616 | 0.4935 | 0.0801 | 2.9700 | O |
23 | 0.3170 | 0.5185 | 0.1176 | 3.2400 | O |
24 | 0.7097 | 0.5854 | 0.1272 | 2.4700 | O |
25 | 0.3275 | 0.6323 | 0.1728 | 2.9300 | O |
26 | 0.4403 | 0.6756 | 0.0437 | 3.1700 | O |
27 | 0.0329 | 0.6122 | 0.0451 | 2.3000 | O |
28 | 0.4004 | 0.5611 | -0.0100 | 4.8200 | O |
29 | 0.4974 | 0.5572 | 0.3680 | 2.0200 | O |
30 | 0.1491 | 0.6181 | 0.3781 | 1.8400 | O |
31 | 0.5339 | 0.6666 | 0.3724 | 1.8900 | O |
32 | 0.3746 | 0.6674 | 0.4798 | 2.1100 | O |
33 | 0.7283 | 0.6076 | 0.4709 | 1.7900 | O |
34 | 0.3524 | 0.5570 | 0.4763 | 1.9900 | O |
35 | 0.5345 | 0.3423 | 0.1120 | 1.9800 | O |
36 | 0.9393 | 0.3164 | 0.1698 | 1.9800 | O |
37 | 0.6010 | 0.2698 | 0.2096 | 1.8800 | O |
38 | 0.8392 | 0.3437 | 0.2828 | 2.2100 | O |
39 | 0.4301 | 0.3678 | 0.2238 | 1.8900 | O |
40 | 0.7696 | 0.4155 | 0.1850 | 2.1400 | O |
41 | 0.8038 | 0.2629 | 0.3618 | 5.6400 | O |
42 | 0.2122 | 0.5394 | 0.2608 | 4.4500 | O |
43 | 0.6806 | 0.5091 | 0.2345 | 3.5300 | O |
44 | 0.4190 | 0.3913 | 0.3425 | 3.2200 | O |
45 | 0.4073 | 0.2954 | 0.4097 | 4.3800 | O |
46 | 0.7810 | 0.6200 | 0.1420 | 0.0000 | H |
47 | 0.7930 | 0.5610 | 0.1120 | 0.0000 | H |
48 | 0.2100 | 0.6470 | 0.1730 | 0.0000 | H |
49 | 0.4420 | 0.6430 | 0.1960 | 0.0000 | H |
50 | 0.5800 | 0.6900 | 0.0400 | 0.0000 | H |
51 | 0.3200 | 0.6900 | 0.0100 | 0.0000 | H |
52 | -0.0150 | 0.6510 | 0.0400 | 0.0000 | H |
53 | -0.0290 | 0.5930 | 0.0080 | 0.0000 | H |
54 | 0.5200 | 0.5600 | -0.0300 | 0.0000 | H |
55 | 0.2900 | 0.5400 | -0.0300 | 0.0000 | H |
56 | 0.6320 | 0.5430 | 0.3800 | 0.0000 | H |
57 | 0.4210 | 0.5480 | 0.3290 | 0.0000 | H |
58 | 0.0680 | 0.5850 | 0.3770 | 0.0000 | H |
59 | 0.1370 | 0.6440 | 0.3460 | 0.0000 | H |
60 | 0.6080 | 0.7030 | 0.3990 | 0.0000 | H |
61 | 0.6070 | 0.6580 | 0.3480 | 0.0000 | H |
62 | 0.2250 | 0.6790 | 0.4760 | 0.0000 | H |
63 | 0.4910 | 0.6900 | 0.5210 | 0.0000 | H |
64 | 0.8280 | 0.6410 | 0.4830 | 0.0000 | H |
65 | 0.7640 | 0.5850 | 0.5100 | 0.0000 | H |
66 | 0.3070 | 0.5190 | 0.4600 | 0.0000 | H |
67 | 0.3020 | 0.5630 | 0.5100 | 0.0000 | H |
68 | 0.4500 | 0.3100 | 0.1000 | 0.0000 | H |
69 | 0.4300 | 0.3700 | 0.0900 | 0.0000 | H |
70 | 0.9130 | 0.3100 | 0.1200 | 0.0000 | H |
71 | 0.0480 | 0.2930 | 0.1970 | 0.0000 | H |
72 | 0.4740 | 0.2660 | 0.2260 | 0.0000 | H |
73 | 0.7110 | 0.2480 | 0.2110 | 0.0000 | H |
74 | 0.8880 | 0.3810 | 0.3030 | 0.0000 | H |
75 | 0.8300 | 0.3100 | 0.3100 | 0.0000 | H |
76 | 0.4420 | 0.3790 | 0.2600 | 0.0000 | H |
77 | 0.3320 | 0.3980 | 0.1950 | 0.0000 | H |
78 | 0.7180 | 0.4550 | 0.2090 | 0.0000 | H |
79 | 0.9200 | 0.4300 | 0.1900 | 0.0000 | H |
80 | 0.7320 | 0.2620 | 0.3260 | 0.0000 | H |
81 | 0.9530 | 0.2320 | 0.3660 | 0.0000 | H |
82 | 0.2140 | 0.5700 | 0.2350 | 0.0000 | H |
83 | 0.1900 | 0.5100 | 0.2300 | 0.0000 | H |
84 | 0.6900 | 0.5400 | 0.2000 | 0.0000 | H |
85 | 0.7500 | 0.5100 | 0.2800 | 0.0000 | H |
86 | 0.5470 | 0.4120 | 0.3610 | 0.0000 | H |
87 | 0.2920 | 0.4170 | 0.3380 | 0.0000 | H |
88 | 0.5060 | 0.2800 | 0.3850 | 0.0000 | H |
89 | 0.4100 | 0.3300 | 0.3900 | 0.0000 | H |