Fe2O3(1-102)-(1x1) -- originally from COD 2101167
  1.000000
    5.0354999999999999    0.0000000000000000    0.0000000000000000
    0.0000000000000000    5.4267997742000000    0.0000000000000000
    0.0000000000000000   -3.3665839532883419   32.8655608768952447
   Fe    O
   20   30
Direct
  0.2142549936011848  0.9506276077343426  0.5303518930586231
  0.7857450063988152  0.4506276077343426  0.5303518930586231
  0.7384264621923194  0.8606188983826067  0.4879513878976383
  0.2615735378076805  0.3606188983826067  0.4879513878976383
  0.7511834337338689  0.4389503932927827  0.4213475045412746
  0.2488165662661311  0.9389503932927826  0.4213475045412746
  0.2518919562523884  0.3602961373559118  0.3748269146589319
  0.7481080437476115  0.8602961373559117  0.3748269146589319
  0.2510054495619756  0.9377573914945492  0.3096025846066057
  0.7489945504380243  0.4377573914945491  0.3096025846066057
  0.7505315198774781  0.8612684548698742  0.2625340860838395
  0.2494684801225218  0.3612684548698744  0.2625340860838395
  0.7500000000000000  0.4367390541102348  0.1976078765142206
  0.2500000000000000  0.9367390541102349  0.1976078765142206
  0.2500000000000000  0.3562790541102347  0.1506017329876884
  0.7500000000000000  0.8562790541102349  0.1506017329876884
  0.7499980140998906  0.8562798807034847  0.0385607423046820
  0.2499980140998908  0.3562798807034847  0.0385607423046820
  0.2499980140998908  0.9367398807034848  0.0855668858312142
  0.7499980140998906  0.4367398807034849  0.0855668858312142
  0.8996544240690200  0.7897857583397385  0.5437065313061469
  0.1003455759309800  0.2897857583397385  0.5437065313061469
  0.4404764112916172  0.6487514882531169  0.5131448615408233
  0.5595235887083827  0.1487514882531169  0.5131448615408233
  0.9052935039798045  0.4903439349764713  0.4746238540657463
  0.0947064960201956  0.9903439349764713  0.4746238540657463
  0.3988545040797669  0.3047788662327992  0.4328942875962045
  0.6011454959202331  0.8047788662327993  0.4328942875962045
  0.9411202138553760  0.1481364769339446  0.3983996421959258
  0.0588797861446240  0.6481364769339445  0.3983996421959258
  0.3987105473039904  0.9918107164165783  0.3640747879405259
  0.6012894526960096  0.4918107164165784  0.3640747879405259
  0.8996582408570324  0.8028033390793500  0.3206499762198049
  0.1003417591429676  0.3028033390793500  0.3206499762198049
  0.4385210859201722  0.6445791521997909  0.2867517273365964
  0.5614789140798278  0.1445791521997908  0.2867517273365964
  0.9028199783976500  0.4915154399113152  0.2522666663213245
  0.0971800216023500  0.9915154399113154  0.2522666663213245
  0.4027000000000000  0.2992090541102346  0.2083230328322789
  0.5973000000000001  0.7992090541102346  0.2083230328322789
  0.9446000000000000  0.1465090541102347  0.1741039084226833
  0.0554000000000000  0.6465090541102347  0.1741039084226833
  0.4027000000000000  0.9938090541102349  0.1398874729979014
  0.5973000000000001  0.4938090541102349  0.1398874729979014
  0.9026980140998908  0.4938098807034847  0.0278464823148949
  0.0972980140998909  0.9938098807034847  0.0278464823148949
  0.4445980140998909  0.6465098807034846  0.0620629177396769
  0.5553980140998908  0.1465098807034847  0.0620629177396769
  0.9026980140998908  0.7992098807034845  0.0962820421492725
  0.0972980140998909  0.2992098807034845  0.0962820421492725
