R   LATTICE,NONEQUIV.ATOMS   7  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 11.960833 11.960833 49.881211 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Hf         NPT=  781  R0=.000005000 RMT= 2.05        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.47530000 Y=0.75230000 Z=0.11230000
          MULT= 6          ISPLIT= 8
      -2: X=0.52470000 Y=0.24770000 Z=0.88770000
      -2: X=0.75230000 Y=0.11230000 Z=0.47530000
      -2: X=0.24770000 Y=0.88770000 Z=0.52470000
      -2: X=0.11230000 Y=0.47530000 Z=0.75230000
      -2: X=0.88770000 Y=0.52470000 Z=0.24770000
Hf         NPT=  781  R0=.000005000 RMT= 2.05        Z:  72.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33480000 Y=0.33480000 Z=0.33480000
          MULT= 2          ISPLIT= 4
      -3: X=0.66520000 Y=0.66520000 Z=0.66520000
Ca         NPT=  781  R0=.000050000 RMT= 1.78        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  -4: X=0.24650000 Y=0.24650000 Z=0.24650000
          MULT= 2          ISPLIT= 4
      -4: X=0.75350000 Y=0.75350000 Z=0.75350000
O          NPT=  781  R0=.000100000 RMT= 1.77        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=0.40680000 Y=0.40680000 Z=0.40680000
          MULT= 2          ISPLIT= 4
      -5: X=0.59320000 Y=0.59320000 Z=0.59320000
O          NPT=  781  R0=.000100000 RMT= 1.77        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=0.37950000 Y=0.69350000 Z=0.02750000
          MULT= 6          ISPLIT= 8
      -6: X=0.62050000 Y=0.30650000 Z=0.97250000
      -6: X=0.69350000 Y=0.02750000 Z=0.37950000
      -6: X=0.30650000 Y=0.97250000 Z=0.62050000
      -6: X=0.02750000 Y=0.37950000 Z=0.69350000
      -6: X=0.97250000 Y=0.62050000 Z=0.30650000
O          NPT=  781  R0=.000100000 RMT= 1.77        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  -7: X=0.57460000 Y=0.82360000 Z=0.19460000
          MULT= 6          ISPLIT= 8
      -7: X=0.42540000 Y=0.17640000 Z=0.80540000
      -7: X=0.82360000 Y=0.19460000 Z=0.57460000
      -7: X=0.17640000 Y=0.80540000 Z=0.42540000
      -7: X=0.19460000 Y=0.57460000 Z=0.82360000
      -7: X=0.80540000 Y=0.42540000 Z=0.17640000
O          NPT=  781  R0=.000100000 RMT= 1.77        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000