63
XYZ file for : shelxl in space group P-1
  H       -2.72164        2.11099       -3.42859
  H       -0.15075       -1.53190       -3.36825
  H        1.41122       -1.41915       -3.30704
  H       -2.57622       -4.61707       -2.70696
  H       -1.05035       -4.25713       -2.73044
  C        0.59777       -1.31554       -2.80843
  H       -3.41777        0.12751       -2.50985
  C       -2.54200        1.94192       -2.50045
  H       -2.33945       -2.33589       -2.38469
  H        0.52063       -0.40751       -2.50745
  H       -1.64762        1.60732       -2.40338
  C       -1.83622       -4.30367       -2.18121
  H       -4.40294        1.27829       -2.10927
  H       -2.63337        2.75820       -2.00391
  C       -3.50216        0.93982       -1.98564
  H        0.71776       -3.14494       -1.94023
  H       -1.68220       -4.90966       -1.45211
  C       -2.15413       -2.92017       -1.63239
  F        3.78463        2.17272       -1.48926
  C        0.61784       -2.23252       -1.62722
  F        5.47230        0.19392       -0.95087
  H       -2.97009       -2.98526       -1.11164
  F        1.46348        3.25676       -1.17330
  H        1.38927       -2.02189       -1.07880
  H       -5.39548        2.68579       -0.50121
  C        3.38188        1.20086       -0.63391
  H       -4.46664       -1.46586       -0.49198
  P       -0.89247       -2.11806       -0.59908
  C        4.26064        0.20409       -0.36283
  H       -5.45975       -0.29334       -0.18420
  P       -3.26299        0.52992       -0.21807
  C        1.17308        2.30126       -0.26079
  C       -4.61314       -0.69143        0.07328
  C        2.11686        1.24040       -0.04913
  C       -5.28736        2.47061        0.42753
  H       -0.28913       -4.20487        0.22511
  F       -0.80771        3.43705        0.18390
  H       -5.89947        1.77114        0.66772
  H       -3.26725        2.74077        0.46305
 Ni       -1.22515       -0.12631        0.26434
  C        3.92204       -0.78563        0.51795
  C        0.00011        2.37327        0.38620
  H       -5.46740        3.24935        0.95950
  C       -3.86087        2.00419        0.67750
  F        4.78313       -1.77420        0.80300
  C       -0.48170       -3.36713        0.67478
  C        1.73387        0.20208        0.82791
  H       -2.28349       -3.93108        1.25928
  H        0.33199       -3.08595        1.12182
  C        2.68181       -0.78368        1.11399
  H       -5.41975       -1.77775        1.61028
  C       -4.70259       -1.14617        1.51740
  C       -0.48532        1.32952        1.23338
  C        0.36438        0.17721        1.36933
  H       -3.76813        1.83112        1.62812
  C       -1.47816       -3.61896        1.67823
  H       -3.87481       -1.56017        1.77364
  H       -4.86835       -0.38710        2.08212
  F        2.39429       -1.79490        1.95321
  H       -1.15658       -4.28757        2.28765
  H       -1.66045       -2.80852        2.15858
  F       -1.13334        1.79513        2.38079
  F        0.26219       -0.47965        2.58965
