75
XYZ file for : oct898 in space group P2(1)/c
  C        1.46228       -1.46983       -6.29905
  C        0.20459       -1.89209       -5.88822
  C        2.51423       -1.43821       -5.39395
  C       -0.29429       -6.50245       -4.44556
  C       -0.00182       -2.28485       -4.57239
  C       -1.43463       -7.12944       -3.95487
  C        2.30982       -1.83010       -4.07447
  C        0.22932       -5.39682       -3.78454
  C        1.05147       -2.25448       -3.66375
  O        0.26296        1.11837       -3.68658
  C        0.55835        5.45790       -2.99412
  C       -2.05201       -6.64744       -2.80658
  C       -0.38873       -4.91692       -2.63636
  C        0.71981        0.88683       -2.67141
  C        0.09952        6.52208       -2.22615
  C        1.02632        4.30270       -2.37547
  C       -1.53080       -5.54028       -2.14773
  C        0.85886       -2.63988       -2.25969
  O        4.51912        0.73756       -2.13837
  O       -2.28204       -1.40335       -2.25285
  C        0.17425       -3.73739       -1.83284
  O       -2.09726        3.21331       -1.70778
  C        3.38368        0.75210       -1.67035
  C       -1.84941       -0.60600       -1.53030
  C        3.46839       -3.63302       -1.20726
  C       -6.60189        1.10200       -0.98458
  C        4.67686       -4.26364       -0.93397
  C       -1.70636        2.30107       -1.16082
  C        0.11280        6.43139       -0.83860
 Ir        1.65884        0.68329       -1.17805
  C       -6.07647       -0.17488       -0.83378
  C        1.03720        4.21353       -0.99009
  P        1.55550       -1.60904       -0.94397
  C       -5.88939        2.20540       -0.52962
  C        3.17902       -2.40264       -0.63039
  C        5.59488       -3.66362       -0.08245
  C        0.58077        5.27619       -0.21995
 Ir       -1.08711        0.69784       -0.45601
  C        3.86498        4.57978       -0.11705
  C       -4.83855       -0.34837       -0.22803
  P        1.74552        2.79818       -0.21176
  C        5.14587        4.99834        0.22590
  C       -4.65040        2.03165        0.07476
  C        3.43149        3.30881        0.23997
  C        4.10011       -1.80203        0.22341
  C       -4.12498        0.75476        0.22555
  C        5.30858       -2.43265        0.49669
  C        5.99261        4.14381        0.92575
  C        4.27584        2.45580        0.93765
  O       -1.94981       -3.11055        0.84335
  C       -2.85569        0.57841        0.80449
  C       -1.03771       -2.41565        0.89163
  C        5.55499        2.87251        1.28186
 Ir        0.30262       -1.14963        0.99862
 Ir        0.47484        1.80520        1.50144
  C       -0.77920        3.12312        1.65400
  O       -1.59248        3.95560        1.86831
  C       -2.51716        0.37586        2.15673
  C        1.53718       -1.81339        2.19511
  P       -0.82479        0.18745        2.50918
  C        1.68095        2.06932        2.85646
  O        2.29181       -2.36835        2.96051
  C       -3.62871        0.24431        3.15447
  C       -4.05011       -1.01200        3.57665
  C       -4.13991        1.38682        3.75800
  O        2.44144        2.23403        3.73794
  C       -0.65949       -0.13268        4.27451
  C       -4.98404       -1.12453        4.59884
  C       -5.07491        1.27456        4.78156
  C       -0.64542       -1.42881        4.77614
  C       -5.49764        0.01951        5.20021
  C       -0.60297        0.94956        5.14814
  C       -0.57990       -1.64415        6.14547
  C       -0.53744        0.73422        6.51747
  C       -0.52404       -0.56402        7.01900
