NoP | x∙a−1 | y∙b−1 | z∙c−1 | B(j) | Atom/occupation |
1 | 0.0 | 0.03 | 0.25 | 0.0 | Ca = 1.0 |
2 | 0.0 | 0.50 | 0.0 | 0.0 | Ti = 1.0 |
3 | 0.037 | 0.482 | 0.25 | 0.0 | O = 1.0 |
4 | 0.073 | 0.268 | 0.026 | 0.0 | O = 1.0 |