Backend/COD_ICSD_XYZs_POMs_unique99/4121106_1_1.1rscale.xyz

32

C   1.29906 0.131639 2.6129
C   3.33488 1.35009 1.23259
C   3.28785 -1.24271 1.35266
C   2.99236 -1.42825 -1.89177
C   3.00201 1.13203 -2.02845
C   0.755127 -0.179191 -2.89645
C   -0.817571 -0.709993 0.0921059
C   -0.807923 0.715043 0.0809767
C   -1.98865 1.44095 0.178299
C   -3.21039 0.73991 0.243946
H   -4.0293 1.21907 0.284373
C   -3.21883 -0.661216 0.248621
H   -4.04498 -1.12985 0.271071
C   -2.02483 -1.36608 0.224084
C   -2.0574 2.90424 0.240382
C   -2.09358 -2.85042 0.308442
O   0.747891 0.217715 3.61214
O   4.11038 2.12956 1.37185
O   4.06334 -2.07764 1.57899
O   3.74132 -2.2125 -2.15931
O   3.74132 1.91533 -2.39016
O   0.0218447 -0.236575 -3.77998
O   -3.07169 3.5259 -0.113474
O   -3.21159 -3.38696 -0.0776508
S   0.811812 1.44286 -0.174829
S   0.778043 -1.48085 -0.0352343
Fe  1.84311 -0.0960793 -1.45704
Fe  2.10024 0.0365733 1.01049
O   -0.990037 3.49817 0.660603
O   -1.13718 -3.50077 0.722998
H   -2.96435 -4.36727 -0.0762989
H   -0.962298 4.52725 0.753144