67
XYZ file for : master_file_afc7*.xtl in space group P 21/n
  O       -3.12104        0.59395       -3.04620
  O        6.39294        1.44769       -2.61717
  O        1.35571       -3.74100       -2.52405
  H        3.74058       -0.84711       -2.06507
  C       -3.35616        0.19955       -2.00741
  C        5.75314        1.33063       -1.68047
  H        1.76529       -0.03620       -1.77906
  C        1.28353       -3.09231       -1.59710
  O       -5.85534       -2.17313       -1.22711
  H       -1.79243       -2.39518       -1.52714
  H       -0.17121       -0.53137       -1.56294
  H       -5.61318        3.75982       -0.91452
  C        3.59983       -0.38184       -1.10325
  C       -4.96029       -1.55955       -0.88897
  H       -0.74515        3.86361       -0.84249
  H        5.38427       -1.39134       -0.61587
  C        2.13038       -0.44665       -0.83789
  H       -3.54563        3.07925       -0.64287
  O        2.80428        3.24662       -0.67266
  C       -5.55249        2.89125       -0.44022
  C       -1.82213       -1.66444       -0.69933
  H       -7.50306        2.31268       -0.07469
  C        3.59086        2.43912       -0.49597
  C       -0.50931       -1.00464       -0.63324
 Fe       -3.59373       -0.49197       -0.39391
  C       -4.22164        2.53961       -0.24200
  C        4.67283       -0.87346       -0.24505
 Fe        4.77978        1.15940       -0.20246
  C       -6.57708        2.11032        0.08426
  C       -0.43136        3.83867        0.04076
 Fe        1.17938       -2.19496       -0.04432
  H        0.48750        3.55711        0.04711
  O       -1.57856        1.75594        0.05505
  H       -0.48082        4.70517        0.43254
  C       -2.56306       -2.10900        0.41172
  H       -3.07807       -2.74053        0.51343
  C        6.04925        2.01535        0.77187
  C       -6.30622        1.00970        0.80499
  C       -3.88567        1.40019        0.55318
  C        1.52849       -0.20242        0.42852
  C        0.13371       -0.48728        0.51536
  C       -2.54289        0.93708        0.63744
  C        2.60423       -2.87633        0.78008
  H       -7.02032        0.40805        1.21098
  O        6.86246        2.53776        1.33616
  C       -1.23570        2.88581        0.85498
  C        0.17578       -3.34929        0.91483
  C       -4.96145        0.63365        1.08790
  C        4.72743       -0.42964        1.08322
  H       -2.01981        3.32745        1.13137
  O        3.46307       -3.37614        1.32867
  H        5.47929       -0.59166        1.57194
  O       -0.42999       -4.09365        1.50376
  C        3.77549        0.49549        1.53200
  C       -2.81943       -1.29516        1.50771
  H       -0.72366        2.61155        1.59477
  C        2.29355        0.35807        1.60184
  H        1.94142        1.08665        1.72920
  H       -4.83612        0.02952        1.99289
  C       -2.07187        0.01544        1.77877
  C       -0.56940       -0.18708        1.83820
  H       -3.44483       -1.60528        2.16646
  H        3.96129        0.81678        2.33542
  H       -0.13942        0.38710        2.27994
  H        2.03162       -0.22524        2.50723
  H       -2.56876        0.31868        2.63584
  H       -0.24315       -1.02867        2.62975
