P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 19.307899 15.737828 13.503794 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05700000 Y=0.05800000 Z=0.20200000
          MULT= 8          ISPLIT= 8
      -1: X=0.94300000 Y=0.94200000 Z=0.79800000
      -1: X=0.55700000 Y=0.05800000 Z=0.29800000
      -1: X=0.44300000 Y=0.94200000 Z=0.70200000
      -1: X=0.44300000 Y=0.55800000 Z=0.70200000
      -1: X=0.55700000 Y=0.44200000 Z=0.29800000
      -1: X=0.94300000 Y=0.55800000 Z=0.79800000
      -1: X=0.05700000 Y=0.44200000 Z=0.20200000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.23500000 Y=0.25000000 Z=0.81700000
          MULT= 4          ISPLIT= 8
      -2: X=0.76500000 Y=0.75000000 Z=0.18300000
      -2: X=0.73500000 Y=0.25000000 Z=0.68300000
      -2: X=0.26500000 Y=0.75000000 Z=0.31700000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00500000 Y=0.25000000 Z=0.52100000
          MULT= 4          ISPLIT= 8
      -3: X=0.99500000 Y=0.75000000 Z=0.47900000
      -3: X=0.50500000 Y=0.25000000 Z=0.97900000
      -3: X=0.49500000 Y=0.75000000 Z=0.02100000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.28200000 Y=0.25000000 Z=0.33200000
          MULT= 4          ISPLIT= 8
      -4: X=0.71800000 Y=0.75000000 Z=0.66800000
      -4: X=0.78200000 Y=0.25000000 Z=0.16800000
      -4: X=0.21800000 Y=0.75000000 Z=0.83200000
Ti         NPT=  781  R0=.000050000 RMT= 2.48        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.47600000 Y=0.25000000 Z=0.59000000
          MULT= 4          ISPLIT= 8
      -5: X=0.52400000 Y=0.75000000 Z=0.41000000
      -5: X=0.97600000 Y=0.25000000 Z=0.91000000
      -5: X=0.02400000 Y=0.75000000 Z=0.09000000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.32300000 Y=0.00900000 Z=0.06600000
          MULT= 8          ISPLIT= 8
      -6: X=0.67700000 Y=0.99100000 Z=0.93400000
      -6: X=0.82300000 Y=0.00900000 Z=0.43400000
      -6: X=0.17700000 Y=0.99100000 Z=0.56600000
      -6: X=0.17700000 Y=0.50900000 Z=0.56600000
      -6: X=0.82300000 Y=0.49100000 Z=0.43400000
      -6: X=0.67700000 Y=0.50900000 Z=0.93400000
      -6: X=0.32300000 Y=0.49100000 Z=0.06600000
Sb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000