P   LATTICE,NONEQUIV.ATOMS   6   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.846342 25.001644  6.574924 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01700000 Y=0.25500000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.98300000 Y=0.74500000 Z=0.00000000
      -1: X=0.48300000 Y=0.75500000 Z=0.50000000
      -1: X=0.51700000 Y=0.24500000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.43        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=0.16900000 Y=0.50700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.83100000 Y=0.49300000 Z=0.00000000
      -2: X=0.33100000 Y=0.00700000 Z=0.50000000
      -2: X=0.66900000 Y=0.99300000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 2.43        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=0.11300000 Y=0.06000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.88700000 Y=0.94000000 Z=0.00000000
      -3: X=0.38700000 Y=0.56000000 Z=0.50000000
      -3: X=0.61300000 Y=0.44000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.41        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.33600000 Y=0.33700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.66400000 Y=0.66300000 Z=0.00000000
      -4: X=0.16400000 Y=0.83700000 Z=0.50000000
      -4: X=0.83600000 Y=0.16300000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.41        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.27500000 Y=0.70000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.72500000 Y=0.30000000 Z=0.00000000
      -5: X=0.22500000 Y=0.20000000 Z=0.50000000
      -5: X=0.77500000 Y=0.80000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.41        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.51100000 Y=0.10000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.48900000 Y=0.90000000 Z=0.00000000
      -6: X=0.98900000 Y=0.60000000 Z=0.50000000
      -6: X=0.01100000 Y=0.40000000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.41        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000