H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.073341 18.073341  6.381605 90.000000 90.000000120.000000                   
ATOM  -1: X=0.10400000 Y=0.48900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -1: X=0.89600000 Y=0.51100000 Z=0.75000000
      -1: X=0.61500000 Y=0.10400000 Z=0.75000000
      -1: X=0.38500000 Y=0.89600000 Z=0.25000000
      -1: X=0.51100000 Y=0.61500000 Z=0.25000000
      -1: X=0.48900000 Y=0.38500000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.66666667 Y=0.33333333 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.33333333 Y=0.66666667 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.27300000 Y=0.33900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.72700000 Y=0.66100000 Z=0.75000000
      -3: X=0.93400000 Y=0.27300000 Z=0.75000000
      -3: X=0.06600000 Y=0.72700000 Z=0.25000000
      -3: X=0.66100000 Y=0.93400000 Z=0.25000000
      -3: X=0.33900000 Y=0.06600000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.15        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000