Backend/COD_ICSD_XYZs_POMs_unique99/4084612_1_1.0rscale.xyz

44

C   0.509558 2.03154 1.82551
C   1.24828 2.06162 2.99233
H   1.05295 1.603 3.77805
C   2.35857 2.91954 2.77494
H   3.01358 3.13423 3.39938
C   2.29248 3.39153 1.43725
H   2.89755 3.97044 1.03173
C   1.14107 2.82598 0.828584
H   0.857624 2.95045 -0.0482251
C   2.7081 0.00911313 -0.106039
H   2.24989 -0.00759427 -0.912589
C   2.34535 -0.688421 1.07657
H   1.60516 -1.24311 1.17768
C   3.30877 -0.391029 2.07571
H   3.31024 -0.716823 2.94669
C   4.26779 0.491122 1.51354
H   5.00945 0.844483 1.94921
C   3.89769 0.738391 0.163784
H   4.35297 1.28222 -0.437417
C   -1.09272 -0.175504 -0.379317
C   -1.0046 -1.49288 0.14247
C   -0.446521 -2.32575 -0.863358
H   -0.277628 -3.23713 -0.785853
C   -0.18951 -1.52296 -2.00415
H   0.177648 -1.81617 -2.80853
C   -0.588978 -0.193882 -1.70606
H   -0.530233 0.537067 -2.27912
C   -4.01383 -2.17789 -1.00906
H   -4.30021 -2.39425 -0.149881
C   -3.39553 -3.06505 -1.92863
H   -3.20755 -3.96307 -1.78215
C   -3.11649 -2.33828 -3.11666
H   -2.71262 -2.67744 -3.88317
C   -3.56002 -1.00252 -2.92907
H   -3.49981 -0.31334 -3.55132
C   -4.11516 -0.903946 -1.62504
H   -4.48085 -0.138747 -1.24416
O   -0.71528 1.36826 1.77609
O   -1.31742 -1.79779 1.42373
O   -3.00047 0.811904 1.17155
O   -1.66402 2.46427 -0.336615
P   -1.64346 1.26634 0.485254
Fe  2.43126 1.34821 1.46071
Fe  -2.16306 -1.46615 -1.54437