N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.9200 | Ca |
2 | 0.2500 | 0.2500 | 0.5000 | 0.7300 | Fe=0.4970, Zn=0.5030 |
3 | 0.9147 | 0.5000 | 0.2045 | 0.6000 | As |
4 | 0.3439 | 0.5000 | 0.4083 | 0.9200 | O |
5 | 0.3183 | 0.0000 | 0.3621 | 1.1200 | O |
6 | 0.0339 | 0.2798 | 0.2454 | 0.8900 | O |
7 | 0.2429 | 0.5000 | 0.0206 | 1.2400 | O |