P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.266272 16.539639 17.311214 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.38100000 Y=0.34760000 Z=0.10340000
          MULT= 4          ISPLIT= 8
      -1: X=0.11900000 Y=0.65240000 Z=0.60340000
      -1: X=0.88100000 Y=0.15240000 Z=0.89660000
      -1: X=0.61900000 Y=0.84760000 Z=0.39660000
Sb         NPT=  781  R0=.000010000 RMT= 1.83        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.10700000 Y=0.02800000 Z=0.21250000
          MULT= 4          ISPLIT= 8
      -2: X=0.39300000 Y=0.97200000 Z=0.71250000
      -2: X=0.60700000 Y=0.47200000 Z=0.78750000
      -2: X=0.89300000 Y=0.52800000 Z=0.28750000
As         NPT=  781  R0=.000050000 RMT= 1.56        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.59000000 Y=0.17700000 Z=0.01600000
          MULT= 4          ISPLIT= 8
      -3: X=0.91000000 Y=0.82300000 Z=0.51600000
      -3: X=0.09000000 Y=0.32300000 Z=0.98400000
      -3: X=0.41000000 Y=0.67700000 Z=0.48400000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -4: X=0.19500000 Y=0.10900000 Z=0.75000000
          MULT= 4          ISPLIT= 8
      -4: X=0.30500000 Y=0.89100000 Z=0.25000000
      -4: X=0.69500000 Y=0.39100000 Z=0.25000000
      -4: X=0.80500000 Y=0.60900000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.18800000 Y=0.51800000 Z=0.19600000
          MULT= 4          ISPLIT= 8
      -5: X=0.31200000 Y=0.48200000 Z=0.69600000
      -5: X=0.68800000 Y=0.98200000 Z=0.80400000
      -5: X=0.81200000 Y=0.01800000 Z=0.30400000
O          NPT=  781  R0=.000100000 RMT= 1.41        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=0.22100000 Y=0.20100000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -6: X=0.27900000 Y=0.79900000 Z=0.75000000
      -6: X=0.72100000 Y=0.29900000 Z=0.75000000
      -6: X=0.77900000 Y=0.70100000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.41        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  -7: X=0.45200000 Y=0.00100000 Z=0.53400000
          MULT= 4          ISPLIT= 8
      -7: X=0.04800000 Y=0.99900000 Z=0.03400000
      -7: X=0.95200000 Y=0.49900000 Z=0.46600000
      -7: X=0.54800000 Y=0.50100000 Z=0.96600000
O          NPT=  781  R0=.000100000 RMT= 1.41        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000