H   LATTICE,NONEQUIV.ATOMS   8  159 P31c                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.791221 13.791221 22.797656 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.14590000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.64590000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
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=0.51430000
          MULT= 2          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.01430000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.07720000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.57720000
Te         NPT=  781  R0=.000010000 RMT= 1.87        Z:  52.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33930000 Y=0.14410000 Z=0.32711000
          MULT= 6          ISPLIT= 8
      -4: X=0.85590000 Y=0.19520000 Z=0.32711000
      -4: X=0.14410000 Y=0.33930000 Z=0.82711000
      -4: X=0.80480000 Y=0.66070000 Z=0.32711000
      -4: X=0.66070000 Y=0.80480000 Z=0.82711000
      -4: X=0.19520000 Y=0.85590000 Z=0.82711000
W          NPT=  781  R0=.000005000 RMT= 1.73        Z:  74.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.53900000 Y=0.07500000 Z=0.36100000
          MULT= 6          ISPLIT= 8
      -5: X=0.92500000 Y=0.46400000 Z=0.36100000
      -5: X=0.07500000 Y=0.53900000 Z=0.86100000
      -5: X=0.53600000 Y=0.46100000 Z=0.36100000
      -5: X=0.46100000 Y=0.53600000 Z=0.86100000
      -5: X=0.46400000 Y=0.92500000 Z=0.86100000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.25200000 Y=0.12400000 Z=0.49900000
          MULT= 6          ISPLIT= 8
      -6: X=0.87600000 Y=0.12800000 Z=0.49900000
      -6: X=0.12400000 Y=0.25200000 Z=0.99900000
      -6: X=0.87200000 Y=0.74800000 Z=0.49900000
      -6: X=0.74800000 Y=0.87200000 Z=0.99900000
      -6: X=0.12800000 Y=0.87600000 Z=0.99900000
O          NPT=  781  R0=.000100000 RMT= 1.49        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=0.12100000 Y=0.25500000 Z=0.31300000
          MULT= 6          ISPLIT= 8
      -7: X=0.74500000 Y=0.86600000 Z=0.31300000
      -7: X=0.25500000 Y=0.12100000 Z=0.81300000
      -7: X=0.13400000 Y=0.87900000 Z=0.31300000
      -7: X=0.87900000 Y=0.13400000 Z=0.81300000
      -7: X=0.86600000 Y=0.74500000 Z=0.81300000
O          NPT=  781  R0=.000100000 RMT= 1.49        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  -8: X=0.37800000 Y=0.18500000 Z=0.18700000
          MULT= 6          ISPLIT= 8
      -8: X=0.81500000 Y=0.19300000 Z=0.18700000
      -8: X=0.18500000 Y=0.37800000 Z=0.68700000
      -8: X=0.80700000 Y=0.62200000 Z=0.18700000
      -8: X=0.62200000 Y=0.80700000 Z=0.68700000
      -8: X=0.19300000 Y=0.81500000 Z=0.68700000
O          NPT=  781  R0=.000100000 RMT= 1.49        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000