H   LATTICE,NONEQUIV.ATOMS   7  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 30.339553 30.339553 13.184619 90.000000 90.000000120.000000                   
ATOM  -1: X=0.42320000 Y=0.57680000 Z=0.22750000
          MULT= 6          ISPLIT= 8
      -1: X=0.84640000 Y=0.42320000 Z=0.72750000
      -1: X=0.57680000 Y=0.42320000 Z=0.72750000
      -1: X=0.42320000 Y=0.84640000 Z=0.22750000
      -1: X=0.15360000 Y=0.57680000 Z=0.22750000
      -1: X=0.57680000 Y=0.15360000 Z=0.72750000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.08990000 Y=0.91010000 Z=0.22320000
          MULT= 6          ISPLIT= 8
      -2: X=0.17980000 Y=0.08990000 Z=0.72320000
      -2: X=0.91010000 Y=0.08990000 Z=0.72320000
      -2: X=0.08990000 Y=0.17980000 Z=0.22320000
      -2: X=0.82020000 Y=0.91010000 Z=0.22320000
      -2: X=0.91010000 Y=0.82020000 Z=0.72320000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.75640000 Y=0.24360000 Z=0.23110000
          MULT= 6          ISPLIT= 8
      -3: X=0.51280000 Y=0.75640000 Z=0.73110000
      -3: X=0.24360000 Y=0.75640000 Z=0.73110000
      -3: X=0.75640000 Y=0.51280000 Z=0.23110000
      -3: X=0.48720000 Y=0.24360000 Z=0.23110000
      -3: X=0.24360000 Y=0.48720000 Z=0.73110000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.33290000 Z=0.00000000
          MULT=12          ISPLIT= 8
      -4: X=0.66710000 Y=0.00000000 Z=0.50000000
      -4: X=0.33290000 Y=0.00000000 Z=0.50000000
      -4: X=0.66710000 Y=0.66710000 Z=0.00000000
      -4: X=0.33290000 Y=0.33290000 Z=0.00000000
      -4: X=0.00000000 Y=0.66710000 Z=0.50000000
      -4: X=0.00000000 Y=0.33290000 Z=0.50000000
      -4: X=0.33290000 Y=0.00000000 Z=0.00000000
      -4: X=0.66710000 Y=0.00000000 Z=0.00000000
      -4: X=0.33290000 Y=0.33290000 Z=0.50000000
      -4: X=0.66710000 Y=0.66710000 Z=0.50000000
      -4: X=0.00000000 Y=0.66710000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.87130000 Y=0.12870000 Z=0.24850000
          MULT= 6          ISPLIT= 8
      -5: X=0.74260000 Y=0.87130000 Z=0.74850000
      -5: X=0.12870000 Y=0.87130000 Z=0.74850000
      -5: X=0.87130000 Y=0.74260000 Z=0.24850000
      -5: X=0.25740000 Y=0.12870000 Z=0.24850000
      -5: X=0.12870000 Y=0.25740000 Z=0.74850000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.20470000 Y=0.79530000 Z=0.24480000
          MULT= 6          ISPLIT= 8
      -6: X=0.40940000 Y=0.20470000 Z=0.74480000
      -6: X=0.79530000 Y=0.20470000 Z=0.74480000
      -6: X=0.20470000 Y=0.40940000 Z=0.24480000
      -6: X=0.59060000 Y=0.79530000 Z=0.24480000
      -6: X=0.79530000 Y=0.59060000 Z=0.74480000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.53800000 Y=0.46200000 Z=0.24970000
          MULT= 6          ISPLIT= 8
      -7: X=0.07600000 Y=0.53800000 Z=0.74970000
      -7: X=0.46200000 Y=0.53800000 Z=0.74970000
      -7: X=0.53800000 Y=0.07600000 Z=0.24970000
      -7: X=0.92400000 Y=0.46200000 Z=0.24970000
      -7: X=0.46200000 Y=0.92400000 Z=0.74970000
Pb         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  82.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000