R   LATTICE,NONEQUIV.ATOMS   3  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.385481 17.385481 20.560219 90.000000 90.000000120.000000                   
ATOM  -1: X=0.28700000 Y=0.09400000 Z=0.94900000
          MULT= 6          ISPLIT= 8
      -1: X=0.71300000 Y=0.90600000 Z=0.05100000
      -1: X=0.09400000 Y=0.94900000 Z=0.28700000
      -1: X=0.90600000 Y=0.05100000 Z=0.71300000
      -1: X=0.94900000 Y=0.28700000 Z=0.09400000
      -1: X=0.05100000 Y=0.71300000 Z=0.90600000
Mo         NPT=  781  R0=.000010000 RMT= 2.44        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.28300000 Y=0.28300000 Z=0.28300000
          MULT= 2          ISPLIT= 4
      -2: X=0.71700000 Y=0.71700000 Z=0.71700000
S          NPT=  781  R0=.000100000 RMT= 2.10        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11500000 Y=0.36900000 Z=0.76500000
          MULT= 6          ISPLIT= 8
      -3: X=0.88500000 Y=0.63100000 Z=0.23500000
      -3: X=0.36900000 Y=0.76500000 Z=0.11500000
      -3: X=0.63100000 Y=0.23500000 Z=0.88500000
      -3: X=0.76500000 Y=0.11500000 Z=0.36900000
      -3: X=0.23500000 Y=0.88500000 Z=0.63100000
S          NPT=  781  R0=.000100000 RMT= 2.10        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000