H   LATTICE,NONEQUIV.ATOMS   5  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.414977 13.414977 31.412918 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.56770000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.43230000
      -2: X=0.66666666 Y=0.33333333 Z=0.06770000
      -2: X=0.33333334 Y=0.66666667 Z=0.93230000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.17410000
          MULT= 4          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.82590000
      -3: X=0.66666666 Y=0.33333333 Z=0.67410000
      -3: X=0.33333334 Y=0.66666667 Z=0.32590000
Mo         NPT=  781  R0=.000010000 RMT= 2.37        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.45900000 Y=0.01300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.54100000 Y=0.98700000 Z=0.75000000
      -4: X=0.44600000 Y=0.45900000 Z=0.75000000
      -4: X=0.55400000 Y=0.54100000 Z=0.25000000
      -4: X=0.98700000 Y=0.44600000 Z=0.25000000
      -4: X=0.01300000 Y=0.55400000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.14        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.21200000 Y=0.34900000 Z=0.09170000
          MULT=12          ISPLIT= 8
      -5: X=0.78800000 Y=0.65100000 Z=0.90830000
      -5: X=0.86300000 Y=0.21200000 Z=0.59170000
      -5: X=0.13700000 Y=0.78800000 Z=0.40830000
      -5: X=0.65100000 Y=0.86300000 Z=0.09170000
      -5: X=0.34900000 Y=0.13700000 Z=0.90830000
      -5: X=0.78800000 Y=0.65100000 Z=0.59170000
      -5: X=0.21200000 Y=0.34900000 Z=0.40830000
      -5: X=0.13700000 Y=0.78800000 Z=0.09170000
      -5: X=0.86300000 Y=0.21200000 Z=0.90830000
      -5: X=0.34900000 Y=0.13700000 Z=0.59170000
      -5: X=0.65100000 Y=0.86300000 Z=0.40830000
Cl         NPT=  781  R0=.000100000 RMT= 2.14        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000