 Ba Mg Fe H
   1.0
     4.5039975300000004    0.0000000000000000    0.0000000000000000
    -2.2519987600000002    3.9005762800000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.8747236300000001
 Ba Mg Fe H
   1   2   1   8
Direct
   0.0000000000000000  0.0000000000000000  0.5000000000000000
   0.6666666700000000  0.3333333300000000  0.1129720800000000
   0.3333333300000000  0.6666666700000000  0.8870279200000000
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.8404886600000000  0.6809773100000001  0.8623478000000000
   0.3190226900000000  0.1595113400000000  0.8623478000000000
   0.8404886600000000  0.1595113400000000  0.8623478000000000
   0.1595113400000000  0.3190226900000000  0.1376522000000000
   0.6809773100000001  0.8404886600000000  0.1376522000000000
   0.1595113400000000  0.8404886600000000  0.1376522000000000
   0.6666666700000000  0.3333333300000000  0.3928649900000000
   0.3333333300000000  0.6666666700000000  0.6071350099999999