R   LATTICE,NONEQUIV.ATOMS   4  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.304557 16.304557 20.038654 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
C          NPT=  781  R0=.000100000 RMT= 1.03        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10840000 Y=0.10840000 Z=0.10840000
          MULT= 4          ISPLIT= 4
      -2: X=0.89160000 Y=0.89160000 Z=0.89160000
      -2: X=0.60840000 Y=0.60840000 Z=0.60840000
      -2: X=0.39160000 Y=0.39160000 Z=0.39160000
O          NPT=  781  R0=.000100000 RMT= 1.13        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  -3: X=0.49990000 Y=0.00010000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.50010000 Y=0.99990000 Z=0.75000000
      -3: X=0.00010000 Y=0.25000000 Z=0.49990000
      -3: X=0.99990000 Y=0.75000000 Z=0.50010000
      -3: X=0.25000000 Y=0.49990000 Z=0.00010000
      -3: X=0.75000000 Y=0.50010000 Z=0.99990000
C          NPT=  781  R0=.000100000 RMT= 1.03        Z:   6.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.38720000 Y=0.88639000 Z=0.84950000
          MULT=12          ISPLIT= 8
      -4: X=0.61280000 Y=0.11361000 Z=0.15050000
      -4: X=0.88639000 Y=0.84950000 Z=0.38720000
      -4: X=0.11361000 Y=0.15050000 Z=0.61280000
      -4: X=0.88720000 Y=0.34950000 Z=0.38639000
      -4: X=0.11280000 Y=0.65050000 Z=0.61361000
      -4: X=0.84950000 Y=0.38720000 Z=0.88639000
      -4: X=0.15050000 Y=0.61280000 Z=0.11361000
      -4: X=0.34950000 Y=0.38639000 Z=0.88720000
      -4: X=0.65050000 Y=0.61361000 Z=0.11280000
      -4: X=0.38639000 Y=0.88720000 Z=0.34950000
      -4: X=0.61361000 Y=0.11280000 Z=0.65050000
O          NPT=  781  R0=.000100000 RMT= 1.13        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000