| x | y | z | Uiso*/Ueq | ||
| La1 | 0.770906 (10) | 0.782106 (9) | 0.614919 (8) | 0.01085 (5) | |
| O7 | 1.00237 (17) | 0.85834 (14) | 0.50120 (13) | 0.0153 (2) | |
| O6 | 0.67267 (17) | 0.56182 (14) | 0.69763 (12) | 0.0162 (2) | |
| O4 | 0.45916 (16) | 0.69885 (14) | 0.55190 (12) | 0.0159 (2) | |
| O1 | 0.95280 (17) | 1.03835 (14) | 0.70708 (12) | 0.0180 (3) | |
| O2 | 0.72212 (18) | 0.84749 (15) | 0.81177 (13) | 0.0209 (3) | |
| O3 | 0.68870 (16) | 0.90080 (14) | 0.45213 (12) | 0.0161 (2) | |
| O8 | 0.66186 (18) | 0.58124 (15) | 0.42448 (13) | 0.0170 (3) | |
| C3 | 0.9035 (3) | 1.0876 (2) | 0.90089 (18) | 0.0193 (4) | |
| H3 | 0.9367 | 1.1593 | 0.9716 | 0.023* | |
| C2 | 0.9814 (2) | 1.1236 (2) | 0.80637 (17) | 0.0170 (3) | |
| C4 | 0.7789 (2) | 0.9524 (2) | 0.89890 (17) | 0.0175 (3) | |
| C5 | 0.7027 (3) | 0.9307 (2) | 1.00763 (19) | 0.0239 (4) | |
| H5A | 0.6022 | 0.9485 | 0.9939 | 0.036* | |
| H5B | 0.7869 | 0.9961 | 1.0817 | 0.036* | |
| H5C | 0.6697 | 0.8336 | 1.0177 | 0.036* | |
| C1 | 1.1092 (3) | 1.2747 (2) | 0.8198 (2) | 0.0281 (4) | |
| H1A | 1.2086 | 1.2767 | 0.7937 | 0.042* | |
| H1B | 1.1445 | 1.3239 | 0.9057 | 0.042* | |
| H1C | 1.0571 | 1.3216 | 0.7688 | 0.042* | |
| C9 | 0.3503 (2) | 0.71969 (18) | 0.47772 (17) | 0.0142 (3) | |
| C7 | 0.5536 (2) | 0.89906 (19) | 0.39080 (17) | 0.0146 (3) | |
| C10 | 0.1669 (2) | 0.6312 (2) | 0.47366 (19) | 0.0188 (4) | |
| H10A | 0.1324 | 0.5336 | 0.4336 | 0.028* | |
| H10B | 0.0959 | 0.6679 | 0.4275 | 0.028* | |
| H10C | 0.1529 | 0.6344 | 0.5573 | 0.028* | |
| C8 | 0.3893 (2) | 0.8151 (2) | 0.40103 (18) | 0.0174 (3) | |
| H8 | 0.2974 | 0.824 | 0.3518 | 0.021* | |
| C6 | 0.5706 (2) | 0.9907 (2) | 0.29805 (18) | 0.0198 (4) | |
| H6A | 0.6826 | 1.0725 | 0.3242 | 0.03* | |
| H6B | 0.4817 | 1.0229 | 0.2913 | 0.03* | |
| H6C | 0.5586 | 0.9366 | 0.2183 | 0.03* | |
| O5 | 1.01440 (17) | 0.74506 (15) | 0.72219 (13) | 0.0189 (3) | |
| C14 | 0.7368 (3) | 0.5254 (2) | 0.78893 (17) | 0.0179 (4) | |
| C12 | 1.0387 (3) | 0.6712 (2) | 0.79565 (17) | 0.0183 (3) | |
| C13 | 0.9103 (3) | 0.5708 (2) | 0.83696 (18) | 0.0209 (4) | |
| H13 | 0.9441 | 0.5314 | 0.9017 | 0.025* | |
| C15 | 0.6127 (3) | 0.4243 (3) | 0.8472 (2) | 0.0299 (5) | |
| H15A | 0.5659 | 0.4746 | 0.8951 | 0.045* | |
| H15B | 0.6714 | 0.3842 | 0.9011 | 0.045* | |
| H15C | 0.52 | 0.3484 | 0.7831 | 0.045* | |
| C11 | 1.2197 (3) | 0.6933 (3) | 0.8430 (2) | 0.0279 (4) | |
| H11A | 1.2719 | 0.6932 | 0.7743 | 0.042* | |
| H11B | 1.2194 | 0.6171 | 0.8838 | 0.042* | |
| H11C | 1.285 | 0.7839 | 0.9014 | 0.042* | |
| H2W | 0.985 (4) | 0.867 (3) | 0.435 (3) | 0.035 (8)* | |
| H1W | 1.104 (4) | 0.932 (3) | 0.536 (3) | 0.034 (8)* | |
| H4W | 0.659 (4) | 0.514 (3) | 0.441 (3) | 0.027 (7)* | |
| H3W | 0.569 (4) | 0.561 (3) | 0.381 (3) | 0.040 (9)* |