R   LATTICE,NONEQUIV.ATOMS   4  148 R-3     
MODE OF CALC=RELA unit=bohr
 17.476187 17.476187 16.478409 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=15
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.14350000 Y=0.32541000 Z=0.60870000
          MULT= 6          ISPLIT=15
      -2: X=0.85650000 Y=0.67459000 Z=0.39130000
      -2: X=0.32541000 Y=0.60870000 Z=0.14350000
      -2: X=0.67459000 Y=0.39130000 Z=0.85650000
      -2: X=0.60870000 Y=0.14350000 Z=0.32541000
      -2: X=0.39130000 Y=0.85650000 Z=0.67459000
Sc         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  21.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.30720000 Y=0.96130000 Z=0.09270000
          MULT= 6          ISPLIT=15
      -3: X=0.69280000 Y=0.03870000 Z=0.90730000
      -3: X=0.96130000 Y=0.09270000 Z=0.30720000
      -3: X=0.03870000 Y=0.90730000 Z=0.69280000
      -3: X=0.09270000 Y=0.30720000 Z=0.96130000
      -3: X=0.90730000 Y=0.69280000 Z=0.03870000
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=0.58730000 Y=0.41700000 Z=0.17620000
          MULT= 6          ISPLIT=15
      -4: X=0.41270000 Y=0.58300000 Z=0.82380000
      -4: X=0.41700000 Y=0.17620000 Z=0.58730000
      -4: X=0.58300000 Y=0.82380000 Z=0.41270000
      -4: X=0.17620000 Y=0.58730000 Z=0.41700000
      -4: X=0.82380000 Y=0.41270000 Z=0.58300000
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