asdf.cif
   1.00000000000000
0.0 4.0 4.0
4.0 0.0 4.0
4.0 4.0 0.0
    A B O
     1 1 1
Direct
  0.2500000000000000  0.2500000000000000  0.2500000000000000
  0.7500000000000000  0.7500000000000000  0.7500000000000000
  0.0000000000000000  0.0000000000000000  0.0000000000000000


  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
