Backend/COD_ICSD_XYZs_POMs_unique99/4081325_0_1.1rscale.xyz

47

Fe  0.893301 0.0719477 2.33416
Fe  1.01816 1.61024 0.336439
P   -0.91827 1.56217 -0.648629
O   -1.84152 -0.687704 2.90811
O   1.06213 -1.22842 -0.276829
O   -0.125595 2.76545 2.7492
O   -4.4806 -0.956622 1.29668
O   -4.2855 -2.31251 -0.462933
O   0.205599 0.404551 -5.40496
O   -0.906944 -1.4363 -4.7659
C   -0.782271 -0.378412 2.57092
C   0.9879 -0.292377 0.429064
C   0.330272 1.90919 2.06731
C   2.45733 -1.33897 2.71465
H   2.73999 -2.00177 2.12657
C   2.97982 -0.0354753 2.8162
H   3.66219 0.317314 2.2921
C   2.2984 0.650158 3.84595
H   2.45733 1.52372 4.12215
C   1.34003 -0.223406 4.37324
H   0.74807 -0.0335528 5.06496
C   1.43139 -1.45072 3.66224
H   0.901295 -2.20124 3.80249
C   1.60841 2.91037 -1.20005
H   1.03834 3.19154 -1.8787
C   1.78448 3.55611 0.0553867
H   1.36858 4.33546 0.347351
C   2.7181 2.77338 0.768385
H   3.02074 2.94161 1.63151
C   3.11115 1.70396 -0.0444189
H   3.72596 1.04548 0.183334
C   2.42688 1.79288 -1.24375
H   2.50397 1.2041 -1.95888
C   -2.24219 0.502121 -0.0133732
C   -2.81606 -0.540628 -0.353744
C   -3.94669 -1.26808 0.273726
C   -5.38662 -3.09066 0.0888688
H   -5.13347 -3.43889 0.946541
H   -5.59219 -3.81619 -0.503903
H   -6.15845 -2.52807 0.185965
C   -0.743251 0.915711 -2.29558
C   -0.672825 0.286073 -3.24632
C   -0.393975 -0.216196 -4.58884
C   -0.64237 -2.02581 -6.06223
H   -1.0754 -1.50912 -6.74434
H   -0.980226 -2.9246 -6.07908
H   0.304576 -2.03782 -6.22101