R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.634925 17.634925 21.285874 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.11        Z:  78.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.75000000 Y=0.75000000 Z=0.75000000
Ca         NPT=  781  R0=.000050000 RMT= 2.18        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.61460000 Y=0.88540000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.38540000 Y=0.11460000 Z=0.75000000
      -3: X=0.88540000 Y=0.25000000 Z=0.61460000
      -3: X=0.11460000 Y=0.75000000 Z=0.38540000
      -3: X=0.25000000 Y=0.61460000 Z=0.88540000
      -3: X=0.75000000 Y=0.38540000 Z=0.11460000
Ca         NPT=  781  R0=.000050000 RMT= 2.18        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29700000 Y=0.94659000 Z=0.07360000
          MULT=12          ISPLIT= 8
      -4: X=0.70300000 Y=0.05341000 Z=0.92640000
      -4: X=0.94659000 Y=0.07360000 Z=0.29700000
      -4: X=0.05341000 Y=0.92640000 Z=0.70300000
      -4: X=0.79700000 Y=0.57360000 Z=0.44659000
      -4: X=0.20300000 Y=0.42640000 Z=0.55341000
      -4: X=0.07360000 Y=0.29700000 Z=0.94659000
      -4: X=0.92640000 Y=0.70300000 Z=0.05341000
      -4: X=0.57360000 Y=0.44659000 Z=0.79700000
      -4: X=0.42640000 Y=0.55341000 Z=0.20300000
      -4: X=0.44659000 Y=0.79700000 Z=0.57360000
      -4: X=0.55341000 Y=0.20300000 Z=0.42640000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000