P   LATTICE,NONEQUIV.ATOMS   7   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 15.212295 40.137783 15.439063 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27500000 Y=0.50700000 Z=0.44600000
          MULT= 8          ISPLIT= 8
      -1: X=0.72500000 Y=0.49300000 Z=0.55400000
      -1: X=0.77500000 Y=0.50700000 Z=0.05400000
      -1: X=0.22500000 Y=0.49300000 Z=0.94600000
      -1: X=0.22500000 Y=0.00700000 Z=0.94600000
      -1: X=0.77500000 Y=0.99300000 Z=0.05400000
      -1: X=0.72500000 Y=0.00700000 Z=0.55400000
      -1: X=0.27500000 Y=0.99300000 Z=0.44600000
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=0.17700000 Y=0.16800000 Z=0.01200000
          MULT= 8          ISPLIT= 8
      -2: X=0.82300000 Y=0.83200000 Z=0.98800000
      -2: X=0.67700000 Y=0.16800000 Z=0.48800000
      -2: X=0.32300000 Y=0.83200000 Z=0.51200000
      -2: X=0.32300000 Y=0.66800000 Z=0.51200000
      -2: X=0.67700000 Y=0.33200000 Z=0.48800000
      -2: X=0.82300000 Y=0.66800000 Z=0.98800000
      -2: X=0.17700000 Y=0.33200000 Z=0.01200000
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=0.17600000 Y=0.16600000 Z=0.50800000
          MULT= 8          ISPLIT= 8
      -3: X=0.82400000 Y=0.83400000 Z=0.49200000
      -3: X=0.67600000 Y=0.16600000 Z=0.99200000
      -3: X=0.32400000 Y=0.83400000 Z=0.00800000
      -3: X=0.32400000 Y=0.66600000 Z=0.00800000
      -3: X=0.67600000 Y=0.33400000 Z=0.99200000
      -3: X=0.82400000 Y=0.66600000 Z=0.49200000
      -3: X=0.17600000 Y=0.33400000 Z=0.50800000
Sn         NPT=  781  R0=.000010000 RMT= 2.41        Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33700000 Y=0.25000000 Z=0.33800000
          MULT= 4          ISPLIT= 8
      -4: X=0.66300000 Y=0.75000000 Z=0.66200000
      -4: X=0.83700000 Y=0.25000000 Z=0.16200000
      -4: X=0.16300000 Y=0.75000000 Z=0.83800000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.01000000 Y=0.25000000 Z=0.66600000
          MULT= 4          ISPLIT= 8
      -5: X=0.99000000 Y=0.75000000 Z=0.33400000
      -5: X=0.51000000 Y=0.25000000 Z=0.83400000
      -5: X=0.49000000 Y=0.75000000 Z=0.16600000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.12500000 Y=0.60600000 Z=0.18500000
          MULT= 8          ISPLIT= 8
      -6: X=0.87500000 Y=0.39400000 Z=0.81500000
      -6: X=0.62500000 Y=0.60600000 Z=0.31500000
      -6: X=0.37500000 Y=0.39400000 Z=0.68500000
      -6: X=0.37500000 Y=0.10600000 Z=0.68500000
      -6: X=0.62500000 Y=0.89400000 Z=0.31500000
      -6: X=0.87500000 Y=0.10600000 Z=0.81500000
      -6: X=0.12500000 Y=0.89400000 Z=0.18500000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.01200000 Y=0.09200000 Z=0.33000000
          MULT= 8          ISPLIT= 8
      -7: X=0.98800000 Y=0.90800000 Z=0.67000000
      -7: X=0.51200000 Y=0.09200000 Z=0.17000000
      -7: X=0.48800000 Y=0.90800000 Z=0.83000000
      -7: X=0.48800000 Y=0.59200000 Z=0.83000000
      -7: X=0.51200000 Y=0.40800000 Z=0.17000000
      -7: X=0.98800000 Y=0.59200000 Z=0.67000000
      -7: X=0.01200000 Y=0.40800000 Z=0.33000000
Se         NPT=  781  R0=.000050000 RMT= 2.30        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000