AB/AB4_tI10_87_a_h.AB params=6.342045544423138,0.3950979953345957,0.28801203724935975,0.9060548192161035 SG=87 [ANRL doi: 10.1016/j.commatsci.2017.01.017 (part 1), doi: 10.1016/j.commatsci.2018.10.043 (part 2)]
1.000000
  -3.17102277221157   3.17102277221157   1.25286474046114
   3.17102277221157  -3.17102277221157   1.25286474046114
   3.17102277221157   3.17102277221157  -1.25286474046114
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.90605481921610   0.28801203724936   0.19406685646546  B     
   0.09394518078390   0.71198796275064   0.80593314353454  B     
   0.28801203724936   0.09394518078390   0.38195721803326  B     
   0.71198796275064   0.90605481921610   0.61804278196674  B