H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.509987 12.509987 23.332449 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
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=0.25000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        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=0.50000000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.50000000 Z=0.75000000
      -3: X=0.50000000 Y=0.50000000 Z=0.25000000
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
      -3: X=0.00000000 Y=0.50000000 Z=0.25000000
Nb         NPT=  781  R0=.000010000 RMT= 2.48        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.62500000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.37500000
      -4: X=0.66666666 Y=0.33333333 Z=0.12500000
      -4: X=0.33333334 Y=0.66666667 Z=0.87500000
S          NPT=  781  R0=.000100000 RMT= 2.13        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  -5: X=0.16700000 Y=0.33400000 Z=0.12500000
          MULT=12          ISPLIT= 8
      -5: X=0.83300000 Y=0.66600000 Z=0.87500000
      -5: X=0.83300000 Y=0.16700000 Z=0.62500000
      -5: X=0.16700000 Y=0.83300000 Z=0.37500000
      -5: X=0.33400000 Y=0.16700000 Z=0.62500000
      -5: X=0.66600000 Y=0.83300000 Z=0.37500000
      -5: X=0.66600000 Y=0.83300000 Z=0.12500000
      -5: X=0.33400000 Y=0.16700000 Z=0.87500000
      -5: X=0.83300000 Y=0.66600000 Z=0.62500000
      -5: X=0.16700000 Y=0.33400000 Z=0.37500000
      -5: X=0.16700000 Y=0.83300000 Z=0.12500000
      -5: X=0.83300000 Y=0.16700000 Z=0.87500000
S          NPT=  781  R0=.000100000 RMT= 2.13        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000