Backend/COD_ICSD_XYZs_POMs_unique99/4113966_1_1.1rscale.xyz

29

C   -1.71783 -0.376697 2.42606
H   -2.14593 0.425067 2.81867
H   -2.04342 -1.16402 2.92886
C   -0.262713 -0.268351 2.62458
H   0.169401 -1.02196 2.15068
H   -0.0737886 -0.379105 3.59058
C   0.390483 1.0294 2.15721
C   0.957255 2.48606 0.36385
H   1.89183 2.39697 0.676913
H   0.593476 3.33357 0.71957
C   0.933137 2.51977 -1.12732
H   0.233716 3.14577 -1.44336
H   1.80741 2.82554 -1.47554
C   1.44966 0.64176 -2.5161
C   1.11402 -0.781191 -2.91151
H   1.2326 -1.37348 -2.1272
H   1.74109 -1.07975 -3.61663
C   -2.66848 -3.63913 -0.798089
C   0.143273 -2.91682 -0.149844
N   0.163372 1.36407 0.875173
N   0.649751 1.17386 -1.5947
Ni  -0.667895 0.37595 -0.508014
Ni  -1.47102 -2.37292 -0.504766
O   1.16025 1.65059 2.91949
O   2.4184 1.21961 -3.05254
O   -3.31163 -4.56128 -1.04212
O   1.18437 -3.40318 0.0441226
S   -2.25988 -0.529827 0.713806
S   -1.61091 -0.720276 -2.14184