H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.517383 17.517383  8.350889 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15280000 Y=0.17410000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.84720000 Y=0.82590000 Z=0.75000000
      -2: X=0.97870000 Y=0.15280000 Z=0.75000000
      -2: X=0.02130000 Y=0.84720000 Z=0.25000000
      -2: X=0.82590000 Y=0.97870000 Z=0.25000000
      -2: X=0.17410000 Y=0.02130000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.48        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  -3: X=0.33600000 Y=0.04300000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.66400000 Y=0.95700000 Z=0.75000000
      -3: X=0.29300000 Y=0.33600000 Z=0.75000000
      -3: X=0.70700000 Y=0.66400000 Z=0.25000000
      -3: X=0.95700000 Y=0.29300000 Z=0.25000000
      -3: X=0.04300000 Y=0.70700000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 2.20        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000