COD_ICSD_XYZs_POMs_unique99/7112323_0_1.0rscale.xyz

55

C   2.80008 -3.68492 -0.335014
C   4.98329 -2.20521 0.276938
C   3.94518 -3.74009 2.11591
C   4.73012 0.273727 2.03794
C   3.61574 -0.943147 4.01114
C   2.36577 1.12703 2.84607
C   0.760929 -1.88287 -2.87386
C   2.41132 0.243601 -2.64915
C   0.248228 0.652175 -3.80032
C   1.9537 2.28798 -0.357656
C   -0.109815 2.87655 -1.72786
C   -0.406418 2.27141 0.907359
C   1.01664 -0.346666 -0.254365
C   -1.21922 -0.909444 1.88766
C   -2.52184 -1.28563 1.61345
H   -2.71145 -1.794 0.859077
C   -3.53982 -0.903607 2.46327
H   -4.4148 -1.15384 2.27139
C   -3.28347 -0.165538 3.57571
H   -3.97731 0.0756528 4.14549
C   -2.00066 0.219878 3.85654
H   -1.82058 0.728995 4.61359
C   -0.967847 -0.151981 3.00626
H   -0.097103 0.115192 3.1955
C   -2.60552 0.874349 -2.30217
C   -2.93496 0.299145 -3.51135
H   -2.3979 -0.366812 -3.87728
C   -4.07265 0.72297 -4.17609
H   -4.29828 0.337366 -4.99134
C   -4.86607 1.69677 -3.64826
H   -5.62876 1.96978 -4.10567
C   -4.54192 2.27593 -2.44902
H   -5.08534 2.93944 -2.09011
C   -3.40529 1.86999 -1.77363
H   -3.17966 2.26727 -0.961966
Fe  3.35144 -2.51218 0.935259
Fe  3.13312 -0.432109 2.34561
Fe  0.707117 -0.181071 -2.28192
Fe  0.335726 1.57071 -0.582783
O   2.50771 -4.44766 -1.12145
O   6.00933 -1.95347 -0.138379
O   4.30958 -4.49153 2.88385
O   5.75658 0.737279 1.86496
O   3.93798 -1.23028 5.05462
O   1.96217 2.12568 3.19981
O   0.864952 -2.93575 -3.29408
O   3.45886 0.550879 -2.96294
O   -0.02613 1.23905 -4.73845
O   2.97412 2.7745 -0.219244
O   -0.38555 3.67713 -2.48842
O   -0.869756 2.8035 1.79417
P   0.151832 -1.50461 0.843455
S   1.58623 -2.08358 2.28444
S   2.77677 -0.502753 0.133617
S   -1.28638 0.204815 -1.31031