H   LATTICE,NONEQUIV.ATOMS   7  187 P-6m2                                      
MODE OF CALC=RELA unit=bohr                                                    
  6.576247  6.576247 48.093530 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.50000000
          MULT= 1          ISPLIT= 4
Nb         NPT=  781  R0=.000010000 RMT= 2.41        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Nb         NPT=  781  R0=.000010000 RMT= 2.41        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.33333334 Y=0.66666667 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.41        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.43750000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.56250000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.18750000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.81250000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.66666667 Y=0.33333333 Z=0.31250000
          MULT= 2          ISPLIT= 4
      -6: X=0.66666666 Y=0.33333333 Z=0.68750000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.66666667 Y=0.33333333 Z=0.06250000
          MULT= 2          ISPLIT= 4
      -7: X=0.66666666 Y=0.33333333 Z=0.93750000
Se         NPT=  781  R0=.000050000 RMT= 2.41        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000