Backend/COD_ICSD_XYZs_POMs_unique99/4103541_1_1.1rscale.xyz

82

Ir  0.731875 -0.113871 0.025569
Ir  -0.322923 1.9715 1.70502
S   2.22404 2.20879 -1.77698
P   -1.18602 0.0848043 -1.33224
P   -2.00966 2.59304 0.158345
P   2.76189 -0.18331 1.25776
P   1.467 1.79001 3.25888
O   1.10787 -2.83456 -1.26303
O   1.16856 4.44271 0.773883
O   1.89694 0.783946 -1.6581
O   3.003 2.72468 -0.68522
O   1.13822 3.00759 -2.23435
C   1.03199 -1.78164 -0.790098
C   0.650944 3.47804 1.11084
C   -0.289877 -0.268223 1.67838
C   -1.52407 0.214513 2.02473
H   -2.1985 0.0815914 1.29936
C   -1.39593 3.14821 3.12659
H   -1.14471 4.09046 3.02964
H   -1.17843 2.84486 4.03396
H   -2.35867 3.04951 2.9735
C   -1.73652 1.81256 -1.45695
H   -1.05703 2.333 -1.95313
H   -2.57954 1.84485 -1.97488
C   2.94061 1.28249 2.31338
H   3.21713 2.04215 1.74091
H   3.67573 1.11395 2.95411
C   -0.881683 -0.443116 -3.04714
C   -1.17169 -1.7316 -3.44329
H   -1.59994 -2.31318 -2.82441
C   -0.879997 -2.19244 -4.64698
H   -1.06884 -3.09107 -4.88651
C   -0.259528 -1.27631 -5.59409
H   -0.0437121 -1.57424 -6.47028
C   0.0051836 -0.0303088 -5.23912
H   0.374431 0.579291 -5.86656
C   -0.264586 0.377328 -3.94363
H   -0.013363 1.25257 -3.67251
C   -2.59978 -0.942286 -0.851629
C   -2.43117 -2.09715 -0.0923184
H   -1.56791 -2.34218 0.218718
C   -3.52205 -2.88564 0.208516
H   -3.38717 -3.69682 0.683396
C   -4.83549 -2.52296 -0.166315
H   -5.58916 -3.03194 0.105029
C   -4.96869 -1.3959 -0.950551
H   -5.83532 -1.15207 -1.25662
C   -3.89636 -0.611419 -1.30148
H   -4.02956 0.154831 -1.84983
C   -3.76147 2.31436 0.529047
C   -4.242 1.89548 1.76202
H   -3.63333 1.63652 2.44317
C   -5.6212 1.85253 2.0114
H   -5.93986 1.57015 2.86228
C   -6.51649 2.21934 1.03024
H   -7.45057 2.23821 1.20359
C   -6.01067 2.56731 -0.24177
H   -6.61934 2.74552 -0.950415
C   -4.65846 2.65394 -0.483806
H   -4.3381 2.94121 -1.3303
C   4.2608 -0.165379 0.226961
C   4.38219 -1.14973 -0.75325
H   3.66899 -1.76289 -0.893424
C   5.53377 -1.24686 -1.5274
H   5.59953 -1.91679 -2.19648
C   6.58587 -0.363039 -1.32042
H   7.37326 -0.426254 -1.84969
C   6.47628 0.605741 -0.345164
H   7.18779 1.21917 -0.202537
C   5.33987 0.685071 0.423875
H   5.29098 1.34208 1.10864
C   3.07718 -1.64914 2.30588
C   2.43648 -2.84221 2.04125
H   1.78903 -2.89339 1.34846
C   2.74503 -3.97746 2.79929
H   2.34038 -4.81182 2.59614
C   3.65719 -3.87438 3.86277
H   3.83254 -4.61966 4.42376
C   4.28609 -2.67949 4.06725
H   4.94871 -2.62378 4.74473
C   3.9944 -1.55372 3.32945
H   4.4176 -0.725661 3.52214