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
  0.2500000000000000  0.7902300000000004  0.4637225000000000    1     Fe_surf      1        1
  0.7500000000000000  0.2902300000000004  0.4637225000000000    2     Fe_surf      1        1
  0.7500000000000000  0.7097699999999998  0.4112795000000000    3      Fe_def      1        2
  0.2500000000000000  0.2097699999999998  0.4112795000000000    4      Fe_def      1        2
  0.7500000000000000  0.2902299999999997  0.3387225000000001    5      Fe_def      2        3
  0.2500000000000000  0.7902299999999997  0.3387225000000001    6      Fe_def      2        3
  0.2500000000000000  0.2097700000000000  0.2862795000000000    7      Fe_def      2        4
  0.7500000000000000  0.7097700000000000  0.2862795000000000    8      Fe_def      2        4
  0.2500000000000000  0.7902300000000000  0.2137225000000001    9      Fe_def      3        5
  0.7500000000000000  0.2902300000000000  0.2137225000000001   10      Fe_def      3        5
  0.7500000000000000  0.7097700000000000  0.1612795000000000   11      Fe_def      3        6
  0.2500000000000000  0.2097700000000000  0.1612795000000000   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
  0.9026999999999999  0.6526999999999998  0.4756770000000000   17      O_surf      1        9
  0.0973000000000000  0.1526999999999998  0.4756770000000000   18      O_surf      1        9
  0.4445999999999999  0.5000000000000000  0.4375000000000000   19       O_def      1       10
  0.5554000000000000  0.0000000000000000  0.4375000000000000   20       O_def      1       10
  0.9026999999999999  0.3473000000000003  0.3993250000000000   21       O_def      1       11
  0.0973000000000000  0.8473000000000003  0.3993250000000000   22       O_def      1       11
  0.4026999999999999  0.1526999999999999  0.3506770000000000   23       O_def      2       12
  0.5972999999999999  0.6527000000000001  0.3506770000000000   24       O_def      2       12
  0.9446000000000000 -0.0000000000000001  0.3125000000000000   25       O_def      2       13
  0.0554000000000000  0.4999999999999999  0.3125000000000000   26       O_def      2       13
  0.4026999999999999  0.8473000000000001  0.2743260000000001   27       O_def      2       14
  0.5972999999999999  0.3473000000000002  0.2743260000000001   28       O_def      2       14
  0.9026999999999999  0.6526999999999998  0.2256770000000000   29       O_def      3       15
  0.0973000000000000  0.1526999999999999  0.2256770000000000   30       O_def      3       15
  0.4445999999999999  0.5000000000000001  0.1875000000000000   31       O_def      3       16
  0.5554000000000000  0.0000000000000000  0.1875000000000000   32       O_def      3       16
  0.9026999999999999  0.3473000000000002  0.1493250000000000   33       O_def      3       17
  0.0973000000000000  0.8473000000000003  0.1493250000000000   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
