H   LATTICE,NONEQUIV.ATOMS   7  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 10.969860 10.969860 18.889702 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.55350000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.05350000
Zn         NPT=  781  R0=.000050000 RMT= 2.01        Z:  30.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.98680000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.48680000
Sc         NPT=  781  R0=.000050000 RMT= 2.06        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.14610000 Y=0.85390000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.29220000 Y=0.14610000 Z=0.75000000
      -3: X=0.85390000 Y=0.14610000 Z=0.75000000
      -3: X=0.14610000 Y=0.29220000 Z=0.25000000
      -3: X=0.70780000 Y=0.85390000 Z=0.25000000
      -3: X=0.85390000 Y=0.70780000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 1.92        Z:  42.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.11140000
          MULT= 2          ISPLIT= 4
      -4: X=0.00000000 Y=0.00000000 Z=0.61140000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
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=0.35300000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.85300000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.48610000 Y=0.51390000 Z=0.13610000
          MULT= 6          ISPLIT= 8
      -6: X=0.97220000 Y=0.48610000 Z=0.63610000
      -6: X=0.51390000 Y=0.48610000 Z=0.63610000
      -6: X=0.48610000 Y=0.97220000 Z=0.13610000
      -6: X=0.02780000 Y=0.51390000 Z=0.13610000
      -6: X=0.51390000 Y=0.02780000 Z=0.63610000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.83530000 Y=0.16470000 Z=0.36460000
          MULT= 6          ISPLIT= 8
      -7: X=0.67060000 Y=0.83530000 Z=0.86460000
      -7: X=0.16470000 Y=0.83530000 Z=0.86460000
      -7: X=0.83530000 Y=0.67060000 Z=0.36460000
      -7: X=0.32940000 Y=0.16470000 Z=0.36460000
      -7: X=0.16470000 Y=0.32940000 Z=0.86460000
O          NPT=  781  R0=.000100000 RMT= 1.73        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000