H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m   
MODE OF CALC=RELA unit=bohr
 18.524985 18.524985 11.999761 90.000000 90.000000120.000000
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=15
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Cd         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  48.00000
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=0.25000000
          MULT= 2          ISPLIT=15
      -2: X=0.66666667 Y=0.33333333 Z=0.75000000
Th         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  90.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.38830000 Y=0.09820000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -3: X=0.61170000 Y=0.90180000 Z=0.75000000
      -3: X=0.29010000 Y=0.38830000 Z=0.75000000
      -3: X=0.70990000 Y=0.61170000 Z=0.25000000
      -3: X=0.90180000 Y=0.29010000 Z=0.25000000
      -3: X=0.09820000 Y=0.70990000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT=   2.00000   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  -4: X=0.18180000 Y=0.01850000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -4: X=0.81820000 Y=0.98150000 Z=0.75000000
      -4: X=0.16330000 Y=0.18180000 Z=0.75000000
      -4: X=0.83670000 Y=0.81820000 Z=0.25000000
      -4: X=0.98150000 Y=0.16330000 Z=0.25000000
      -4: X=0.01850000 Y=0.83670000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.04780000 Y=0.48790000 Z=0.25000000
          MULT= 6          ISPLIT=15
      -5: X=0.95220000 Y=0.51210000 Z=0.75000000
      -5: X=0.55990000 Y=0.04780000 Z=0.75000000
      -5: X=0.44010000 Y=0.95220000 Z=0.25000000
      -5: X=0.51210000 Y=0.55990000 Z=0.25000000
      -5: X=0.48790000 Y=0.44010000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT=   2.00000   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=0.46500000 Y=0.21590000 Z=0.02820000
          MULT=12          ISPLIT=15
      -6: X=0.53500000 Y=0.78410000 Z=0.97180000
      -6: X=0.24910000 Y=0.46500000 Z=0.52820000
      -6: X=0.75090000 Y=0.53500000 Z=0.47180000
      -6: X=0.78410000 Y=0.24910000 Z=0.02820000
      -6: X=0.21590000 Y=0.75090000 Z=0.97180000
      -6: X=0.53500000 Y=0.78410000 Z=0.52820000
      -6: X=0.46500000 Y=0.21590000 Z=0.47180000
      -6: X=0.75090000 Y=0.53500000 Z=0.02820000
      -6: X=0.24910000 Y=0.46500000 Z=0.97180000
      -6: X=0.21590000 Y=0.75090000 Z=0.52820000
      -6: X=0.78410000 Y=0.24910000 Z=0.47180000
O          NPT=  781  R0=.000100000 RMT=   2.00000   Z:   8.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000