P   LATTICE,NONEQUIV.ATOMS   7   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.321014 12.585576 31.652913 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.15600000 Y=0.59200000 Z=0.02500000
          MULT= 4          ISPLIT= 8
      -1: X=0.34400000 Y=0.40800000 Z=0.52500000
      -1: X=0.65600000 Y=0.90800000 Z=0.97500000
      -1: X=0.84400000 Y=0.09200000 Z=0.47500000
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=0.43000000 Y=0.22300000 Z=0.15300000
          MULT= 4          ISPLIT= 8
      -2: X=0.07000000 Y=0.77700000 Z=0.65300000
      -2: X=0.93000000 Y=0.27700000 Z=0.84700000
      -2: X=0.57000000 Y=0.72300000 Z=0.34700000
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  -3: X=0.07600000 Y=0.06800000 Z=0.02000000
          MULT= 4          ISPLIT= 8
      -3: X=0.42400000 Y=0.93200000 Z=0.52000000
      -3: X=0.57600000 Y=0.43200000 Z=0.98000000
      -3: X=0.92400000 Y=0.56800000 Z=0.48000000
S          NPT=  781  R0=.000100000 RMT= 1.92        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  -4: X=0.06500000 Y=0.64500000 Z=0.37400000
          MULT= 4          ISPLIT= 8
      -4: X=0.43500000 Y=0.35500000 Z=0.87400000
      -4: X=0.56500000 Y=0.85500000 Z=0.62600000
      -4: X=0.93500000 Y=0.14500000 Z=0.12600000
S          NPT=  781  R0=.000100000 RMT= 1.92        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=0.06200000 Y=0.38300000 Z=0.29800000
          MULT= 4          ISPLIT= 8
      -5: X=0.43800000 Y=0.61700000 Z=0.79800000
      -5: X=0.56200000 Y=0.11700000 Z=0.70200000
      -5: X=0.93800000 Y=0.88300000 Z=0.20200000
S          NPT=  781  R0=.000100000 RMT= 1.92        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=0.24700000 Y=0.16700000 Z=0.34700000
          MULT= 4          ISPLIT= 8
      -6: X=0.25300000 Y=0.83300000 Z=0.84700000
      -6: X=0.74700000 Y=0.33300000 Z=0.65300000
      -6: X=0.75300000 Y=0.66700000 Z=0.15300000
S          NPT=  781  R0=.000100000 RMT= 1.92        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  -7: X=0.55000000 Y=0.25700000 Z=0.33200000
          MULT= 4          ISPLIT= 8
      -7: X=0.95000000 Y=0.74300000 Z=0.83200000
      -7: X=0.05000000 Y=0.24300000 Z=0.66800000
      -7: X=0.45000000 Y=0.75700000 Z=0.16800000
S          NPT=  781  R0=.000100000 RMT= 1.92        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000