Backend/COD_ICSD_XYZs_POMs_unique99/4078139_0_1.0rscale.xyz

36

Fe  0.719843 2.34326 -1.98359
Fe  0.464273 0.594156 -0.152454
O   0.911964 2.94117 -4.87207
O   3.07346 3.7298 -0.926954
O   -1.12108 4.45425 -1.15233
O   2.6715 1.33864 1.586
P   0.342689 -1.40531 0.743895
P   -0.878799 1.2262 1.47113
S   1.93524 0.431195 -1.86042
S   -1.05985 0.962413 -1.78712
C   0.825593 2.70446 -3.74988
C   2.15881 3.19153 -1.34514
C   -0.400214 3.6308 -1.47454
C   1.80004 1.0316 0.890079
C   1.83104 -2.43702 0.566996
C   2.96937 -2.16618 1.3382
H   2.95055 -1.47427 1.98926
C   4.11988 -2.91043 1.15017
H   4.88615 -2.72835 1.68047
C   4.17082 -3.90504 0.206639
H   4.9692 -4.40576 0.0856966
C   3.04688 -4.18044 -0.575133
H   3.07567 -4.86779 -1.23182
C   1.89527 -3.44529 -0.386968
H   1.13121 -3.6342 -0.919011
C   -2.6669 1.03843 1.25348
C   -3.28036 -0.172401 1.57555
H   -2.76767 -0.868857 1.97035
C   -4.60804 -0.370413 1.32865
H   -5.01664 -1.20115 1.54185
C   -5.35438 0.653787 0.76366
H   -6.27899 0.517227 0.591263
C   -4.78189 1.8669 0.451061
H   -5.30898 2.56335 0.0756208
C   -3.41767 2.06263 0.68904
H   -3.00796 2.8911 0.468377