R   LATTICE,NONEQUIV.ATOMS   8  148 R-3                                        
MODE OF CALC=RELA unit=bohr                                                    
 20.214401 20.214401 53.239252 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Te         NPT=  781  R0=.000010000 RMT= 2.50000     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  -2: X=0.33150000 Y=0.06750000 Z=0.93550000
          MULT= 6          ISPLIT= 8
      -2: X=0.66850000 Y=0.93250000 Z=0.06450000
      -2: X=0.06750000 Y=0.93550000 Z=0.33150000
      -2: X=0.93250000 Y=0.06450000 Z=0.66850000
      -2: X=0.93550000 Y=0.33150000 Z=0.06750000
      -2: X=0.06450000 Y=0.66850000 Z=0.93250000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     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  -3: X=0.52390000 Y=0.61289000 Z=0.21390000
          MULT= 6          ISPLIT= 8
      -3: X=0.47610000 Y=0.38711000 Z=0.78610000
      -3: X=0.61289000 Y=0.21390000 Z=0.52390000
      -3: X=0.38711000 Y=0.78610000 Z=0.47610000
      -3: X=0.21390000 Y=0.52390000 Z=0.61289000
      -3: X=0.78610000 Y=0.47610000 Z=0.38711000
Te         NPT=  781  R0=.000010000 RMT= 2.50000     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=0.23263000 Y=0.23263000 Z=0.23263000
          MULT= 2          ISPLIT= 4
      -4: X=0.76737000 Y=0.76737000 Z=0.76737000
S          NPT=  781  R0=.000100000 RMT= 2.24        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.55700000 Y=0.29899000 Z=0.13800000
          MULT= 6          ISPLIT= 8
      -5: X=0.44300000 Y=0.70101000 Z=0.86200000
      -5: X=0.29899000 Y=0.13800000 Z=0.55700000
      -5: X=0.70101000 Y=0.86200000 Z=0.44300000
      -5: X=0.13800000 Y=0.55700000 Z=0.29899000
      -5: X=0.86200000 Y=0.44300000 Z=0.70101000
S          NPT=  781  R0=.000100000 RMT= 2.24        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.38533000 Y=0.38533000 Z=0.38533000
          MULT= 2          ISPLIT= 4
      -6: X=0.61467000 Y=0.61467000 Z=0.61467000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.10870000 Y=0.27070000 Z=0.78770000
          MULT= 6          ISPLIT= 8
      -7: X=0.89130000 Y=0.72930000 Z=0.21230000
      -7: X=0.27070000 Y=0.78770000 Z=0.10870000
      -7: X=0.72930000 Y=0.21230000 Z=0.89130000
      -7: X=0.78770000 Y=0.10870000 Z=0.27070000
      -7: X=0.21230000 Y=0.89130000 Z=0.72930000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.31430000 Y=0.48329000 Z=0.04430000
          MULT= 6          ISPLIT= 8
      -8: X=0.68570000 Y=0.51671000 Z=0.95570000
      -8: X=0.48329000 Y=0.04430000 Z=0.31430000
      -8: X=0.51671000 Y=0.95570000 Z=0.68570000
      -8: X=0.04430000 Y=0.31430000 Z=0.48329000
      -8: X=0.95570000 Y=0.68570000 Z=0.51671000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000