unknown system
           1
     0.000000    2.750000    2.750000
     2.750000    0.000000    2.750000
     2.750000    2.750000    0.000000
   Si
   2
Direct configuration=     1
   0.87500000  0.87500000  0.87500000
   0.13000000  0.13000000  0.12000000
