R   LATTICE,NONEQUIV.ATOMS   5  167 R-3c                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.426386 19.426386 98.842127 90.000000 90.000000120.000000                   
ATOM  -1: X=0.42650000 Y=0.72820000 Z=0.00310000
          MULT=12          ISPLIT= 8
      -1: X=0.57350000 Y=0.27180000 Z=0.99690000
      -1: X=0.72820000 Y=0.00310000 Z=0.42650000
      -1: X=0.27180000 Y=0.99690000 Z=0.57350000
      -1: X=0.92650000 Y=0.50310000 Z=0.22820000
      -1: X=0.07350000 Y=0.49690000 Z=0.77180000
      -1: X=0.00310000 Y=0.42650000 Z=0.72820000
      -1: X=0.99690000 Y=0.57350000 Z=0.27180000
      -1: X=0.50310000 Y=0.22820000 Z=0.92650000
      -1: X=0.49690000 Y=0.77180000 Z=0.07350000
      -1: X=0.22820000 Y=0.92650000 Z=0.50310000
      -1: X=0.77180000 Y=0.07350000 Z=0.49690000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.46200000 Y=0.03800000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.53800000 Y=0.96200000 Z=0.75000000
      -2: X=0.03800000 Y=0.25000000 Z=0.46200000
      -2: X=0.96200000 Y=0.75000000 Z=0.53800000
      -2: X=0.25000000 Y=0.46200000 Z=0.03800000
      -2: X=0.75000000 Y=0.53800000 Z=0.96200000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.19910000 Y=0.19910000 Z=0.19910000
          MULT= 4          ISPLIT= 4
      -3: X=0.80090000 Y=0.80090000 Z=0.80090000
      -3: X=0.69910000 Y=0.69910000 Z=0.69910000
      -3: X=0.30090000 Y=0.30090000 Z=0.30090000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.41090000 Y=0.17490000 Z=0.84890000
          MULT=12          ISPLIT= 8
      -4: X=0.58910000 Y=0.82510000 Z=0.15110000
      -4: X=0.17490000 Y=0.84890000 Z=0.41090000
      -4: X=0.82510000 Y=0.15110000 Z=0.58910000
      -4: X=0.91090000 Y=0.34890000 Z=0.67490000
      -4: X=0.08910000 Y=0.65110000 Z=0.32510000
      -4: X=0.84890000 Y=0.41090000 Z=0.17490000
      -4: X=0.15110000 Y=0.58910000 Z=0.82510000
      -4: X=0.34890000 Y=0.67490000 Z=0.91090000
      -4: X=0.65110000 Y=0.32510000 Z=0.08910000
      -4: X=0.67490000 Y=0.91090000 Z=0.34890000
      -4: X=0.32510000 Y=0.08910000 Z=0.65110000
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  -5: X=0.07890000 Y=0.07890000 Z=0.07890000
          MULT= 4          ISPLIT= 4
      -5: X=0.92110000 Y=0.92110000 Z=0.92110000
      -5: X=0.57890000 Y=0.57890000 Z=0.57890000
      -5: X=0.42110000 Y=0.42110000 Z=0.42110000
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