R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 18.772539 18.772539 17.695393 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=0.14590000 Y=0.31810000 Z=0.60650000
          MULT= 6          ISPLIT=15
      -2: X=0.85410000 Y=0.68190000 Z=0.39350000
      -2: X=0.31810000 Y=0.60650000 Z=0.14590000
      -2: X=0.68190000 Y=0.39350000 Z=0.85410000
      -2: X=0.60650000 Y=0.14590000 Z=0.31810000
      -2: X=0.39350000 Y=0.85410000 Z=0.68190000
Y          NPT=  781  R0=.000010000 RMT=   2.00000   Z:  39.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30800000 Y=0.95800000 Z=0.08500000
          MULT= 6          ISPLIT=15
      -3: X=0.69200000 Y=0.04200000 Z=0.91500000
      -3: X=0.95800000 Y=0.08500000 Z=0.30800000
      -3: X=0.04200000 Y=0.91500000 Z=0.69200000
      -3: X=0.08500000 Y=0.30800000 Z=0.95800000
      -3: X=0.91500000 Y=0.69200000 Z=0.04200000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.59200000 Y=0.42501000 Z=0.17900000
          MULT= 6          ISPLIT=15
      -4: X=0.40800000 Y=0.57499000 Z=0.82100000
      -4: X=0.42501000 Y=0.17900000 Z=0.59200000
      -4: X=0.57499000 Y=0.82100000 Z=0.40800000
      -4: X=0.17900000 Y=0.59200000 Z=0.42501000
      -4: X=0.82100000 Y=0.40800000 Z=0.57499000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000