P   LATTICE,NONEQUIV.ATOMS   6   55 Pbam                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.071236 29.300204  6.527114 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.44        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=0.10871000 Y=0.42125000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.89129000 Y=0.57875000 Z=0.00000000
      -2: X=0.39129000 Y=0.92125000 Z=0.00000000
      -2: X=0.60871000 Y=0.07875000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.44        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=0.22315000 Y=0.21078000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.77685000 Y=0.78922000 Z=0.00000000
      -3: X=0.27685000 Y=0.71078000 Z=0.00000000
      -3: X=0.72315000 Y=0.28922000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.44        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  -4: X=0.40376000 Y=0.35966000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -4: X=0.59624000 Y=0.64034000 Z=0.50000000
      -4: X=0.09624000 Y=0.85966000 Z=0.50000000
      -4: X=0.90376000 Y=0.14034000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.44        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  -5: X=0.28381000 Y=0.05636000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -5: X=0.71619000 Y=0.94364000 Z=0.50000000
      -5: X=0.21619000 Y=0.55636000 Z=0.50000000
      -5: X=0.78381000 Y=0.44364000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.44        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  -6: X=0.01823000 Y=0.30249000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -6: X=0.98177000 Y=0.69751000 Z=0.50000000
      -6: X=0.48177000 Y=0.80249000 Z=0.50000000
      -6: X=0.51823000 Y=0.19751000 Z=0.50000000
Se         NPT=  781  R0=.000050000 RMT= 2.44        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000