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
  0.2165675067847768  0.8041788214816074  0.4599822299298001    1     Fe_surf      1        1
  0.7834324932152231  0.3041788214816074  0.4599822299298001    2     Fe_surf      1        1
  0.7386177517269360  0.7165464238422953  0.4126678979256231    3      Fe_def      1        2
  0.2613822482730639  0.2165464238422953  0.4126678979256231    4      Fe_def      1        2
  0.7519553495103718  0.2923702098684751  0.3383324119564638    5      Fe_def      2        3
  0.2480446504896282  0.7923702098684751  0.3383324119564638    6      Fe_def      2        3
  0.2532104201560316  0.2127776806884892  0.2864085653326148    7      Fe_def      2        4
  0.7467895798439683  0.7127776806884892  0.2864085653326148    8      Fe_def      2        4
  0.2512517171425753  0.7915515414222274  0.2136711628827982    9      Fe_def      3        5
  0.7487482828574247  0.2915515414222274  0.2136711628827982   10      Fe_def      3        5
  0.7502721360387558  0.7148434402532095  0.1611841877321342   11      Fe_def      3        6
  0.2497278639612443  0.2148434402532095  0.1611841877321342   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
  0.9014991907075618  0.6411399506632901  0.4747670050247670   17      O_surf      1        9
  0.0985008092924381  0.1411399506632902  0.4747670050247670   18      O_surf      1        9
  0.4453158837103672  0.5037652905997347  0.4411317687662326   19       O_def      1       10
  0.5546841162896328  0.0037652905997349  0.4411317687662326   20       O_def      1       10
  0.9061796644568270  0.3416335537738641  0.3973995529542953   21       O_def      1       11
  0.0938203355431729  0.8416335537738638  0.3973995529542953   22       O_def      1       11
  0.4005186333024320  0.1573413509551438  0.3511171344113367   23       O_def      2       12
  0.5994813666975679  0.6573413509551438  0.3511171344113367   24       O_def      2       12
  0.9421925170400236  0.9996494222719713  0.3126764369298036   25       O_def      2       13
  0.0578074829599763  0.4996494222719713  0.3126764369298036   26       O_def      2       13
  0.4000661332992995  0.8445176039757010  0.2747028890047377   27       O_def      2       14
  0.5999338667007005  0.3445176039757009  0.2747028890047377   28       O_def      2       14
  0.8992474350599777  0.6558735502369060  0.2258722636136256   29       O_def      3       15
  0.1007525649400223  0.1558735502369058  0.2258722636136256   30       O_def      3       15
  0.4385811375230187  0.4985033137400103  0.1882459365956658   31       O_def      3       16
  0.5614188624769813  0.9985033137400103  0.1882459365956658   32       O_def      3       16
  0.9007978546392867  0.3473849904163016  0.1496572147521334   33       O_def      3       17
  0.0992021453607131  0.8473849904163016  0.1496572147521334   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
