AB/AB4_cP5_215_a_e.AB params=5.039176638760266,0.2512036263394912 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
   5.03917663876027   0.00000000000000   0.00000000000000
   0.00000000000000   5.03917663876027   0.00000000000000
   0.00000000000000   0.00000000000000   5.03917663876027
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.25120362633949   0.25120362633949   0.25120362633949  B     
   0.74879637366051   0.74879637366051   0.25120362633949  B     
   0.74879637366051   0.25120362633949   0.74879637366051  B     
   0.25120362633949   0.74879637366051   0.74879637366051  B