R   LATTICE,NONEQUIV.ATOMS   6  161 R3c                                        
MODE OF CALC=RELA unit=bohr                                                    
 19.470794 19.470794 25.530577 90.000000 90.000000120.000000                   
ATOM  -1: X=0.37000000 Y=0.37000000 Z=0.37000000
          MULT= 2          ISPLIT= 4
      -1: X=0.87000000 Y=0.87000000 Z=0.87000000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.05370000 Y=0.18750000 Z=0.87550000
          MULT= 6          ISPLIT= 8
      -2: X=0.18750000 Y=0.87550000 Z=0.05370000
      -2: X=0.55370000 Y=0.37550000 Z=0.68750000
      -2: X=0.87550000 Y=0.05370000 Z=0.18750000
      -2: X=0.37550000 Y=0.68750000 Z=0.55370000
      -2: X=0.68750000 Y=0.55370000 Z=0.37550000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.26390000 Y=0.26390000 Z=0.26390000
          MULT= 2          ISPLIT= 4
      -3: X=0.76390000 Y=0.76390000 Z=0.76390000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.55200000 Y=0.43650000 Z=0.27600000
          MULT= 6          ISPLIT= 8
      -4: X=0.43650000 Y=0.27600000 Z=0.55200000
      -4: X=0.05200000 Y=0.77600000 Z=0.93650000
      -4: X=0.27600000 Y=0.55200000 Z=0.43650000
      -4: X=0.77600000 Y=0.93650000 Z=0.05200000
      -4: X=0.93650000 Y=0.05200000 Z=0.77600000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -5: X=0.21570000 Y=0.05770000 Z=0.93900000
          MULT= 6          ISPLIT= 8
      -5: X=0.05770000 Y=0.93900000 Z=0.21570000
      -5: X=0.71570000 Y=0.43900000 Z=0.55770000
      -5: X=0.93900000 Y=0.21570000 Z=0.05770000
      -5: X=0.43900000 Y=0.55770000 Z=0.71570000
      -5: X=0.55770000 Y=0.71570000 Z=0.43900000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -6: X=0.10110000 Y=0.34710000 Z=0.77410000
          MULT= 6          ISPLIT= 8
      -6: X=0.34710000 Y=0.77410000 Z=0.10110000
      -6: X=0.60110000 Y=0.27410000 Z=0.84710000
      -6: X=0.77410000 Y=0.10110000 Z=0.34710000
      -6: X=0.27410000 Y=0.84710000 Z=0.60110000
      -6: X=0.84710000 Y=0.60110000 Z=0.27410000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000