Backend/COD_ICSD_XYZs_POMs_unique99/4100879_0_1.1rscale.xyz

78

Cu  -0.407683 -1.15836 -0.52988
Cu  0.787753 0.723593 0.901437
O   0.349786 -0.432654 2.42697
C   -0.399707 -1.4479 2.31991
C   -0.812574 -2.13156 3.58647
C   -0.205003 -1.78289 4.79413
H   0.472942 -1.14537 4.81298
C   -0.621388 -2.39135 5.96481
H   -0.221424 -2.16061 6.77168
C   -1.61133 -3.32626 5.94755
H   -1.88814 -3.7245 6.74221
C   -2.19544 -3.68006 4.76898
H   -2.86166 -4.32954 4.75777
C   -1.80134 -3.07502 3.58448
H   -2.21186 -3.31259 2.78351
O   -0.80319 -1.9321 1.23895
O   2.39301 -0.31985 0.537467
C   2.39887 -1.42568 -0.0458256
C   3.7055 -2.12985 -0.184928
C   4.88193 -1.42568 -0.0537996
H   4.87138 -0.504439 0.0798864
C   6.09825 -2.12472 -0.125325
H   6.90169 -1.66325 -0.0544381
C   6.10528 -3.4647 -0.294457
H   6.9146 -3.92105 -0.318178
C   4.93941 -4.1552 -0.429762
H   4.95583 -5.07473 -0.557901
C   3.75242 -3.49889 -0.377127
H   2.95952 -3.97745 -0.471185
O   1.37609 -1.99824 -0.514793
O   1.03242 1.59441 -0.82359
C   0.76148 1.05944 -1.93323
C   1.20719 1.79609 -3.14351
C   2.22762 2.73784 -3.02281
H   2.61586 2.8985 -2.1925
C   2.6663 3.43859 -4.14686
H   3.36066 4.05218 -4.07138
C   2.07163 3.21982 -5.36097
H   2.36603 3.68471 -6.11136
C   1.05588 2.32764 -5.47412
H   0.647707 2.20116 -6.30154
C   0.614865 1.60296 -4.37717
H   -0.0771553 0.989367 -4.47045
O   0.166811 -0.0453585 -2.06999
O   -1.02956 1.51237 1.00689
C   -2.0066 1.04919 0.354632
C   -3.28977 1.81831 0.396772
C   -3.34725 3.08309 0.981677
H   -2.58368 3.44885 1.36573
C   -4.51899 3.78897 0.994511
H   -4.54127 4.62646 1.39857
C   -5.6356 3.29673 0.436799
H   -6.42732 3.78384 0.459892
C   -5.59807 2.05246 -0.178016
H   -6.36047 1.71918 -0.593426
C   -4.44392 1.3124 -0.174681
H   -4.43688 0.466364 -0.559663
O   -1.98314 -0.00365497 -0.344984
O   1.96841 2.11741 2.0485
S   1.78778 3.44885 2.65921
C   0.386146 3.26426 3.71242
H   0.621903 2.71904 4.4676
H   -0.326986 2.84722 3.22515
H   0.101128 4.12909 4.01858
C   1.03829 4.45896 1.43198
H   1.68222 4.66406 0.750725
H   0.726292 5.27252 1.83418
H   0.297005 3.99065 1.04102
O   -1.30872 -2.72122 -1.67706
S   -1.15706 -2.79198 -3.15551
C   -1.95148 -4.29365 -3.65052
H   -1.42718 -5.04397 -3.36118
H   -2.03475 -4.31245 -4.60684
H   -2.82412 -4.3415 -3.25293
C   -2.32094 -1.63932 -3.80828
H   -2.02654 -0.74543 -3.61929
H   -3.17952 -1.78631 -3.40532
H   -2.39015 -1.75725 -4.75923