AB/AB4_tI10_87_a_h.AB params=6.321179444634146,0.4421900834760401,0.07303648954190244,0.285016122308821 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
  -3.16058972231707   3.16058972231707   1.39758143314490
   3.16058972231707  -3.16058972231707   1.39758143314490
   3.16058972231707   3.16058972231707  -1.39758143314490
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.28501612230882   0.07303648954190   0.35805261185072  B     
   0.71498387769118   0.92696351045810   0.64194738814928  B     
   0.07303648954190   0.71498387769118   0.78802036723308  B     
   0.92696351045810   0.28501612230882   0.21197963276692  B