H   LATTICE,NONEQUIV.ATOMS   5  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 16.315895 16.315895 16.187394 90.000000 90.000000120.000000                   
ATOM  -1: X=0.20300000 Y=0.40600000 Z=0.04200000
          MULT=12          ISPLIT= 8
      -1: X=0.79700000 Y=0.59400000 Z=0.95800000
      -1: X=0.79700000 Y=0.20300000 Z=0.54200000
      -1: X=0.20300000 Y=0.79700000 Z=0.45800000
      -1: X=0.40600000 Y=0.20300000 Z=0.54200000
      -1: X=0.59400000 Y=0.79700000 Z=0.45800000
      -1: X=0.59400000 Y=0.79700000 Z=0.04200000
      -1: X=0.40600000 Y=0.20300000 Z=0.95800000
      -1: X=0.79700000 Y=0.59400000 Z=0.54200000
      -1: X=0.20300000 Y=0.40600000 Z=0.45800000
      -1: X=0.20300000 Y=0.79700000 Z=0.04200000
      -1: X=0.79700000 Y=0.20300000 Z=0.95800000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.54000000 Y=0.08000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.46000000 Y=0.92000000 Z=0.75000000
      -2: X=0.46000000 Y=0.54000000 Z=0.75000000
      -2: X=0.54000000 Y=0.46000000 Z=0.25000000
      -2: X=0.08000000 Y=0.54000000 Z=0.75000000
      -2: X=0.92000000 Y=0.46000000 Z=0.25000000
Zr         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  40.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.89000000 Y=0.78000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.11000000 Y=0.22000000 Z=0.75000000
      -3: X=0.11000000 Y=0.89000000 Z=0.75000000
      -3: X=0.89000000 Y=0.11000000 Z=0.25000000
      -3: X=0.78000000 Y=0.89000000 Z=0.75000000
      -3: X=0.22000000 Y=0.11000000 Z=0.25000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 2.50000     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  -5: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.75000000
B          NPT=  781  R0=.000100000 RMT= 2.17        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000