(GeSi)4  modify job 998
    1.0
            5.46909483 0.00000000 0.00000000 
            0.00000000 5.46909483 0.00000000 
            0.00000000 0.00000000 5.46909483 
  Si Ge
  4 4
Direct
        0.37500000 0.37500000 0.37500000      	#	1      	Si1
        0.87500000 0.37500000 0.87500000      	#	2      	Si5
        0.12500000 0.62500000 0.12500000      	#	3      	Si6
        0.12500000 0.12500000 0.62500000      	#	4      	Si8
        0.62500000 0.62500000 0.62500000      	#	5      	Ge1
        0.37500000 0.87500000 0.87500000      	#	6      	Ge3
        0.62500000 0.12500000 0.12500000      	#	7      	Ge2
        0.87500000 0.87500000 0.37500000      	#	8      	Ge4