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                               N   SiteLabel  Layer  Linking     FreeDir: see POSCAR
  0.2163836465141485  0.8046703148792540  0.4600106146516849    1     Fe_surf      1        1
  0.7836163534858515  0.3046703148792539  0.4600106146516849    2     Fe_surf      1        1
  0.7379527499054387  0.7159979656367604  0.4128025784817978    3      Fe_def      1        2
  0.2620472500945614  0.2159979656367605  0.4128025784817978    4      Fe_def      1        2
  0.7522962356757885  0.2929356094950205  0.3383737038590249    5      Fe_def      2        3
  0.2477037643242114  0.7929356094950204  0.3383737038590249    6      Fe_def      2        3
  0.2537680749735426  0.2133409244114457  0.2865218283077071    7      Fe_def      2        4
  0.7462319250264573  0.7133409244114456  0.2865218283077071    8      Fe_def      2        4
  0.2521327003591412  0.7914108886186453  0.2136959643940691    9      Fe_def      3        5
  0.7478672996408586  0.2914108886186453  0.2136959643940691   10      Fe_def      3        5
  0.7517090153721711  0.7153330690710707  0.1612737591198078   11      Fe_def      3        6
  0.2482909846278289  0.2153330690710707  0.1612737591198078   12      Fe_def      3        6
  0.7500000000000000  0.2902300000000001  0.0887225000000000   13      Fe_def      4        7
  0.2500000000000000  0.7902300000000002  0.0887225000000000   14      Fe_def      4        7
  0.2500000000000000  0.2097700000000000  0.0362795000000000   15      Fe_def      4        8
  0.7500000000000000  0.7097700000000000  0.0362795000000000   16      Fe_def      4        8
  0.9016538435821987  0.6415140961975514  0.4749163144419651   17      O_surf      1        9
  0.0983461564178011  0.1415140961975515  0.4749163144419651   18      O_surf      1        9
  0.4437273595975038  0.5033362556727811  0.4411420215719870   19       O_def      1       10
  0.5562726404024961  0.0033362556727811  0.4411420215719870   20       O_def      1       10
  0.9066950759063100  0.3429513961587898  0.3975605337733070   21       O_def      1       11
  0.0933049240936898  0.8429513961587897  0.3975605337733070   22       O_def      1       11
  0.3999832404686499  0.1591130343600524  0.3511822536675016   23       O_def      2       12
  0.6000167595313501  0.6591130343600524  0.3511822536675016   24       O_def      2       12
  0.9405522348732146  0.0001396397436624  0.3127221652916529   25       O_def      2       13
  0.0594477651267852  0.5001396397436625  0.3127221652916529   26       O_def      2       13
  0.4018169165933906  0.8445143173202233  0.2746653200812548   27       O_def      2       14
  0.5981830834066093  0.3445143173202233  0.2746653200812548   28       O_def      2       14
  0.8995894245370524  0.6550651943873673  0.2259691861167320   29       O_def      3       15
  0.1004105754629476  0.1550651943873673  0.2259691861167320   30       O_def      3       15
  0.4384206340634119  0.4999232921164296  0.1882344436190052   31       O_def      3       16
  0.5615793659365880  0.9999232921164297  0.1882344436190052   32       O_def      3       16
  0.9032631509275137  0.3499213965134078  0.1496962200098852   33       O_def      3       17
  0.0967368490724861  0.8499213965134075  0.1496962200098852   34       O_def      3       17
  0.4026999999999999  0.1526999999999999  0.1006770000000000   35       O_def      4       18
  0.5972999999999999  0.6526999999999998  0.1006770000000000   36       O_def      4       18
  0.9446000000000000 -0.0000000000000000  0.0625000000000000   37       O_def      4       19
  0.0554000000000000  0.5000000000000000  0.0625000000000000   38       O_def      4       19
  0.4026999999999999  0.8473000000000001  0.0243260000000000   39       O_def      4       20
  0.5972999999999999  0.3473000000000001  0.0243260000000000   40       O_def      4       20
