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
  0.2095523697005012  0.9503717851958569  0.5304588017535662
  0.7904476302994988  0.4503717851958569  0.5304588017535662
  0.7431787553087699  0.8569725187632488  0.4876136935842085
  0.2568212446912300  0.3569725187632488  0.4876136935842085
  0.7494073484764859  0.4340899418989313  0.4211308062085538
  0.2505926515235141  0.9340899418989314  0.4211308062085538
  0.2511962360805011  0.3545007194306761  0.3747645645018329
  0.7488037639194989  0.8545007194306762  0.3747645645018329
  0.2500000000000000  0.9367390541102348  0.3096489104141984
  0.7500000000000000  0.4367390541102347  0.3096489104141984
  0.7500000000000000  0.8562790541102347  0.2626427668876661
  0.2500000000000000  0.3562790541102347  0.2626427668876661
  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
  0.9047534217526697  0.7916303256227576  0.5432525357382291
  0.0952465782473303  0.2916303256227575  0.5432525357382291
  0.4357989011229162  0.6460869576014464  0.5115452457946769
  0.5642010988770837  0.1460869576014465  0.5115452457946769
  0.9012667506847679  0.4842544715400889  0.4756980412980261
  0.0987332493152320  0.9842544715400892  0.4756980412980261
  0.3911455509329514  0.3031676343319530  0.4325450443044730
  0.6088544490670486  0.8031676343319530  0.4325450443044730
  0.9434808425938453  0.1455064070551675  0.3986365584656707
  0.0565191574061546  0.6455064070551675  0.3986365584656707
  0.4059427435392966  0.0036294355806672  0.3644086435743601
  0.5940572564607034  0.5036294355806672  0.3644086435743601
  0.9026999999999999  0.7992090541102346  0.3203640667322565
  0.0973000000000000  0.2992090541102346  0.3203640667322565
  0.4445999999999999  0.6465090541102348  0.2861449423226610
  0.5554000000000000  0.1465090541102347  0.2861449423226610
  0.9026999999999999  0.4938090541102348  0.2519276105696078
  0.0973000000000000  0.9938090541102351  0.2519276105696078
  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
