AB/AB4_tI10_87_a_h.AB params=4.781994414217041,0.35302380892089263,0.9056660177272098,0.7071159934936735 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
  -2.39099720710852   2.39099720710852   0.84407894117267
   2.39099720710852  -2.39099720710852   0.84407894117267
   2.39099720710852   2.39099720710852  -0.84407894117267
C Fe
1 4 
Direct(5) [A1B4] 
   0.00000000000000   0.00000000000000   0.00000000000000  A     
   0.70711599349367   0.90566601772721   0.61278201122088  B     
   0.29288400650633   0.09433398227279   0.38721798877912  B     
   0.90566601772721   0.29288400650633   0.19855002423354  B     
   0.09433398227279   0.70711599349367   0.80144997576646  B