H   LATTICE,NONEQUIV.ATOMS   6  159 P31c                                       
MODE OF CALC=RELA unit=bohr                                                    
 12.219914 12.219914  8.900043 90.000000 90.000000120.000000                   
ATOM  -1: X=0.08130000 Y=0.51710000 Z=0.28980000
          MULT= 6          ISPLIT= 8
      -1: X=0.48290000 Y=0.56420000 Z=0.28980000
      -1: X=0.51710000 Y=0.08130000 Z=0.78980000
      -1: X=0.43580000 Y=0.91870000 Z=0.28980000
      -1: X=0.91870000 Y=0.43580000 Z=0.78980000
      -1: X=0.56420000 Y=0.48290000 Z=0.78980000
C          NPT=  781  R0=.000100000 RMT= 1.29        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=0.16560000 Y=0.25470000 Z=0.00950000
          MULT= 6          ISPLIT= 8
      -2: X=0.74530000 Y=0.91090000 Z=0.00950000
      -2: X=0.25470000 Y=0.16560000 Z=0.50950000
      -2: X=0.08910000 Y=0.83440000 Z=0.00950000
      -2: X=0.83440000 Y=0.08910000 Z=0.50950000
      -2: X=0.91090000 Y=0.74530000 Z=0.50950000
C          NPT=  781  R0=.000100000 RMT= 1.29        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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
N          NPT=  781  R0=.000100000 RMT= 1.36        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.37220000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.87220000
N          NPT=  781  R0=.000100000 RMT= 1.36        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04900000 Y=0.39610000 Z=0.02940000
          MULT= 6          ISPLIT= 8
      -5: X=0.60390000 Y=0.65290000 Z=0.02940000
      -5: X=0.39610000 Y=0.04900000 Z=0.52940000
      -5: X=0.34710000 Y=0.95100000 Z=0.02940000
      -5: X=0.95100000 Y=0.34710000 Z=0.52940000
      -5: X=0.65290000 Y=0.60390000 Z=0.52940000
N          NPT=  781  R0=.000100000 RMT= 1.36        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.31880000 Y=0.31480000 Z=0.25770000
          MULT= 6          ISPLIT= 8
      -6: X=0.68520000 Y=0.00400000 Z=0.25770000
      -6: X=0.31480000 Y=0.31880000 Z=0.75770000
      -6: X=0.99600000 Y=0.68120000 Z=0.25770000
      -6: X=0.68120000 Y=0.99600000 Z=0.75770000
      -6: X=0.00400000 Y=0.68520000 Z=0.75770000
N          NPT=  781  R0=.000100000 RMT= 1.36        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000