Fe2O3(1-102)-(1x1) -- originally from COD 2101167
  1.000000
    5.0354999999999999    0.0000000000000000    0.0000000000000000
    0.0000000000000000    5.4267997742000000    0.0000000000000000
    0.0000000000000000   -3.0175643747000001   29.4583313627999992
   Fe    O
   16   24
Direct          Plane group = pg[0 1]                           N   SiteLabel  Layer  Linking     FreeDir
  0.2163636640048604  0.8038120640317216  0.4601267455725497    1     Fe_surf      1        1        free
  0.7836363359951395  0.3038120640317215  0.4601267455725497    2     Fe_surf      1        1        free
  0.7381878723434807  0.7173558989632174  0.4129587037914345    3      Fe_def      1        2        free
  0.2618121276565193  0.2173558989632174  0.4129587037914345    4      Fe_def      1        2        free
  0.7530765530634325  0.2922588444686244  0.3385046165121430    5      Fe_def      2        3        free
  0.2469234469365675  0.7922588444686243  0.3385046165121430    6      Fe_def      2        3        free
  0.2538880967525695  0.2139429846173591  0.2865427218128378    7      Fe_def      2        4        free
  0.7461119032474306  0.7139429846173591  0.2865427218128378    8      Fe_def      2        4        free
  0.2520704726069259  0.7914287830120814  0.2137316543376113    9      Fe_def      3        5        free
  0.7479295273930742  0.2914287830120815  0.2137316543376113   10      Fe_def      3        5        free
  0.7510438510475554  0.7147660905468061  0.1612373086650084   11      Fe_def      3        6        free
  0.2489561489524445  0.2147660905468060  0.1612373086650084   12      Fe_def      3        6        free
  0.7500000000000000  0.2902300000000001  0.0887225000000000   13      Fe_def      4        7        bulk
  0.2500000000000000  0.7902300000000002  0.0887225000000000   14      Fe_def      4        7        bulk
  0.2500000000000000  0.2097700000000000  0.0362795000000000   15      Fe_def      4        8        bulk
  0.7500000000000000  0.7097700000000000  0.0362795000000000   16      Fe_def      4        8        bulk
  0.9027276844058955  0.6409510143367066  0.4749915943646333   17      O_surf      1        9        free
  0.0972723155941045  0.1409510143367067  0.4749915943646333   18      O_surf      1        9        free
  0.4468491992356298  0.5037055807200146  0.4414121311721628   19       O_def      1       10        free
  0.5531508007643702  0.0037055807200146  0.4414121311721628   20       O_def      1       10        free
  0.9074598024567594  0.3423056196572122  0.3972949717617322   21       O_def      1       11        free
  0.0925401975432404  0.8423056196572122  0.3972949717617322   22       O_def      1       11        free
  0.4012093679766517  0.1578016605548527  0.3512092818565082   23       O_def      2       12        free
  0.5987906320233483  0.6578016605548527  0.3512092818565082   24       O_def      2       12        free
  0.9431483560428287  0.0007593195244131  0.3126979569452858   25       O_def      2       13        free
  0.0568516439571713  0.5007593195244131  0.3126979569452858   26       O_def      2       13        free
  0.4023756502648259  0.8452687815775288  0.2747798909588760   27       O_def      2       14        free
  0.5976243497351741  0.3452687815775289  0.2747798909588760   28       O_def      2       14        free
  0.8984985791395060  0.6568481661576461  0.2260067501142778   29       O_def      3       15        free
  0.1015014208604940  0.1568481661576459  0.2260067501142778   30       O_def      3       15        free
  0.4393088436504000  0.4996716752078675  0.1882605108825022   31       O_def      3       16        free
  0.5606911563496000  0.9996716752078675  0.1882605108825022   32       O_def      3       16        free
  0.9041877654398649  0.3516736073695483  0.1499298227570730   33       O_def      3       17        free
  0.0958122345601352  0.8516736073695484  0.1499298227570730   34       O_def      3       17        free
  0.4026999999999999  0.1526999999999999  0.1006770000000000   35       O_def      4       18        bulk
  0.5972999999999999  0.6526999999999998  0.1006770000000000   36       O_def      4       18        bulk
  0.9446000000000000 -0.0000000000000000  0.0625000000000000   37       O_def      4       19        bulk
  0.0554000000000000  0.5000000000000000  0.0625000000000000   38       O_def      4       19        bulk
  0.4026999999999999  0.8473000000000001  0.0243260000000000   39       O_def      4       20        bulk
  0.5972999999999999  0.3473000000000001  0.0243260000000000   40       O_def      4       20        bulk
