R   LATTICE,NONEQUIV.ATOMS   4  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 17.920272 17.920272 16.899440 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
W          NPT=  781  R0=.000005000 RMT= 1.91        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.13950000 Y=0.32241000 Z=0.60460000
          MULT= 6          ISPLIT= 8
      -2: X=0.86050000 Y=0.67759000 Z=0.39540000
      -2: X=0.32241000 Y=0.60460000 Z=0.13950000
      -2: X=0.67759000 Y=0.39540000 Z=0.86050000
      -2: X=0.60460000 Y=0.13950000 Z=0.32241000
      -2: X=0.39540000 Y=0.86050000 Z=0.67759000
In         NPT=  781  R0=.000010000 RMT= 2.07        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.29000000 Y=0.95201000 Z=0.09000000
          MULT= 6          ISPLIT= 8
      -3: X=0.71000000 Y=0.04799000 Z=0.91000000
      -3: X=0.95201000 Y=0.09000000 Z=0.29000000
      -3: X=0.04799000 Y=0.91000000 Z=0.71000000
      -3: X=0.09000000 Y=0.29000000 Z=0.95201000
      -3: X=0.91000000 Y=0.71000000 Z=0.04799000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.58700000 Y=0.41099000 Z=0.16400000
          MULT= 6          ISPLIT= 8
      -4: X=0.41300000 Y=0.58901000 Z=0.83600000
      -4: X=0.41099000 Y=0.16400000 Z=0.58700000
      -4: X=0.58901000 Y=0.83600000 Z=0.41300000
      -4: X=0.16400000 Y=0.58700000 Z=0.41099000
      -4: X=0.83600000 Y=0.41300000 Z=0.58901000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000