P   LATTICE,NONEQUIV.ATOMS   5   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.764533  8.959192 15.600445 90.000000 90.000000110.570000                   
ATOM  -1: X=0.17390000 Y=0.36540000 Z=0.35980000
          MULT= 4          ISPLIT= 8
      -1: X=0.82610000 Y=0.63460000 Z=0.64020000
      -1: X=0.32610000 Y=0.13460000 Z=0.85980000
      -1: X=0.67390000 Y=0.86540000 Z=0.14020000
Se         NPT=  781  R0=.000050000 RMT= 1.66        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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.69        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  -3: X=0.16900000 Y=0.25970000 Z=0.15940000
          MULT= 4          ISPLIT= 8
      -3: X=0.83100000 Y=0.74030000 Z=0.84060000
      -3: X=0.33100000 Y=0.24030000 Z=0.65940000
      -3: X=0.66900000 Y=0.75970000 Z=0.34060000
O          NPT=  781  R0=.000100000 RMT= 1.50        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=0.25050000 Y=0.09890000 Z=0.45490000
          MULT= 4          ISPLIT= 8
      -4: X=0.74950000 Y=0.90110000 Z=0.54510000
      -4: X=0.24950000 Y=0.40110000 Z=0.95490000
      -4: X=0.75050000 Y=0.59890000 Z=0.04510000
O          NPT=  781  R0=.000100000 RMT= 1.50        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  -5: X=0.40430000 Y=0.65710000 Z=0.34590000
          MULT= 4          ISPLIT= 8
      -5: X=0.59570000 Y=0.34290000 Z=0.65410000
      -5: X=0.09570000 Y=0.84290000 Z=0.84590000
      -5: X=0.90430000 Y=0.15710000 Z=0.15410000
O          NPT=  781  R0=.000100000 RMT= 1.50        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000