P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 20.698170  9.735869 12.143380 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.05930000 Y=0.25000000 Z=0.16360000
          MULT= 4          ISPLIT= 8
      -1: X=0.94070000 Y=0.75000000 Z=0.83640000
      -1: X=0.55930000 Y=0.25000000 Z=0.33640000
      -1: X=0.44070000 Y=0.75000000 Z=0.66360000
Ti         NPT=  781  R0=.000050000 RMT= 1.76        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  -2: X=0.84350000 Y=0.25000000 Z=0.52220000
          MULT= 4          ISPLIT= 8
      -2: X=0.15650000 Y=0.75000000 Z=0.47780000
      -2: X=0.34350000 Y=0.25000000 Z=0.97780000
      -2: X=0.65650000 Y=0.75000000 Z=0.02220000
S          NPT=  781  R0=.000100000 RMT= 1.32        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.13380000 Y=0.50780000 Z=0.36210000
          MULT= 8          ISPLIT= 8
      -3: X=0.86620000 Y=0.49220000 Z=0.63790000
      -3: X=0.63380000 Y=0.50780000 Z=0.13790000
      -3: X=0.36620000 Y=0.49220000 Z=0.86210000
      -3: X=0.36620000 Y=0.00780000 Z=0.86210000
      -3: X=0.63380000 Y=0.99220000 Z=0.13790000
      -3: X=0.86620000 Y=0.00780000 Z=0.63790000
      -3: X=0.13380000 Y=0.99220000 Z=0.36210000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.20970000 Y=0.25000000 Z=0.02430000
          MULT= 4          ISPLIT= 8
      -4: X=0.79030000 Y=0.75000000 Z=0.97570000
      -4: X=0.70970000 Y=0.25000000 Z=0.47570000
      -4: X=0.29030000 Y=0.75000000 Z=0.52430000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.41080000 Y=0.25000000 Z=0.17090000
          MULT= 4          ISPLIT= 8
      -5: X=0.58920000 Y=0.75000000 Z=0.82910000
      -5: X=0.91080000 Y=0.25000000 Z=0.32910000
      -5: X=0.08920000 Y=0.75000000 Z=0.67090000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.50000000 Y=0.00000000 Z=0.50000000
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
      -6: X=0.00000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.39        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000