AB/AB4_tI10_87_a_h.AB params=5.509983644761703,0.3521830843766402,0.903668519275084,0.7081083011052172 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
  -2.75499182238085   2.75499182238085   0.97026151743851
   2.75499182238085  -2.75499182238085   0.97026151743851
   2.75499182238085   2.75499182238085  -0.97026151743851
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.70810830110522   0.90366851927508   0.61177682038030  B     
   0.29189169889478   0.09633148072492   0.38822317961970  B     
   0.90366851927508   0.29189169889478   0.19556021816987  B     
   0.09633148072492   0.70810830110522   0.80443978183013  B