AB/AB4_tI10_87_a_h.AB params=5.16961865709913,0.35407514017498715,0.8942763679814291,0.7012416283119847 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
  -2.58480932854956   2.58480932854956   0.91521672533180
   2.58480932854956  -2.58480932854956   0.91521672533180
   2.58480932854956   2.58480932854956  -0.91521672533180
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.70124162831198   0.89427636798143   0.59551799629341  B     
   0.29875837168802   0.10572363201857   0.40448200370659  B     
   0.89427636798143   0.29875837168802   0.19303473966944  B     
   0.10572363201857   0.70124162831198   0.80696526033056  B