H   LATTICE,NONEQUIV.ATOMS   3  147 P-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.097460 12.097460  4.543091 90.000000 90.000000120.000000                   
ATOM  -1: X=0.22690000 Y=0.40530000 Z=0.25010000
          MULT= 6          ISPLIT= 8
      -1: X=0.77310000 Y=0.59470000 Z=0.74990000
      -1: X=0.59470000 Y=0.82160000 Z=0.25010000
      -1: X=0.40530000 Y=0.17840000 Z=0.74990000
      -1: X=0.17840000 Y=0.77310000 Z=0.25010000
      -1: X=0.82160000 Y=0.22690000 Z=0.74990000
C          NPT=  781  R0=.000100000 RMT= 1.32        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=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
N          NPT=  781  R0=.000100000 RMT= 1.39        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  -3: X=0.33020000 Y=0.03310000 Z=0.24980000
          MULT= 6          ISPLIT= 8
      -3: X=0.66980000 Y=0.96690000 Z=0.75020000
      -3: X=0.96690000 Y=0.29710000 Z=0.24980000
      -3: X=0.03310000 Y=0.70290000 Z=0.75020000
      -3: X=0.70290000 Y=0.66980000 Z=0.24980000
      -3: X=0.29710000 Y=0.33020000 Z=0.75020000
N          NPT=  781  R0=.000100000 RMT= 1.39        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000