Fe bcc conventional cell, a=2.8 A       
   1.00000000000000     
     2.7999999999999998    0.0000000000000000    0.0000000000000000
     0.0000000000000000    2.7999999999999998    0.0000000000000000
     0.0000000000000000    0.0000000000000000    2.7999999999999998
   Fe
     2
Direct
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.5000000000000000
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
