H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.554001 16.554001  8.352590 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
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=0.18800000 Y=0.15600000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.81200000 Y=0.84400000 Z=0.75000000
      -2: X=0.03200000 Y=0.18800000 Z=0.75000000
      -2: X=0.96800000 Y=0.81200000 Z=0.25000000
      -2: X=0.84400000 Y=0.03200000 Z=0.25000000
      -2: X=0.15600000 Y=0.96800000 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=0.05900000 Y=0.34900000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.94100000 Y=0.65100000 Z=0.75000000
      -3: X=0.71000000 Y=0.05900000 Z=0.75000000
      -3: X=0.29000000 Y=0.94100000 Z=0.25000000
      -3: X=0.65100000 Y=0.71000000 Z=0.25000000
      -3: X=0.34900000 Y=0.29000000 Z=0.75000000
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