AB/AB4_cP5_215_a_e.AB params=5.042591583910984,0.25138564775642736 SG=215 [ANRL doi: 10.1016/j.commatsci.2017.01.017 (part 1), doi: 10.1016/j.commatsci.2018.10.043 (part 2)]
1.000000
   5.04259158391098   0.00000000000000   0.00000000000000
   0.00000000000000   5.04259158391098   0.00000000000000
   0.00000000000000   0.00000000000000   5.04259158391098
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.25138564775643   0.25138564775643   0.25138564775643  B     
   0.74861435224357   0.74861435224357   0.25138564775643  B     
   0.74861435224357   0.25138564775643   0.74861435224357  B     
   0.25138564775643   0.74861435224357   0.74861435224357  B