R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.011316 17.011316 21.465020 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
U          NPT=  781  R0=.000005000 RMT=   2.00000   Z:  92.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.56222000 Y=0.42125000 Z=0.22253000
          MULT= 6          ISPLIT=15
      -2: X=0.43778000 Y=0.57875000 Z=0.77747000
      -2: X=0.42125000 Y=0.22253000 Z=0.56222000
      -2: X=0.57875000 Y=0.77747000 Z=0.43778000
      -2: X=0.22253000 Y=0.56222000 Z=0.42125000
      -2: X=0.77747000 Y=0.43778000 Z=0.57875000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   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  -3: X=0.12630000 Y=0.36770000 Z=0.75800000
          MULT= 6          ISPLIT=15
      -3: X=0.87370000 Y=0.63230000 Z=0.24200000
      -3: X=0.36770000 Y=0.75800000 Z=0.12630000
      -3: X=0.63230000 Y=0.24200000 Z=0.87370000
      -3: X=0.75800000 Y=0.12630000 Z=0.36770000
      -3: X=0.24200000 Y=0.87370000 Z=0.63230000
S          NPT=  781  R0=.000100000 RMT=   2.00000   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  -4: X=0.23880000 Y=0.23880000 Z=0.23880000
          MULT= 2          ISPLIT=15
      -4: X=0.76120000 Y=0.76120000 Z=0.76120000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000