P   LATTICE,NONEQUIV.ATOMS   5   91 P4122                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.347805 11.347805 15.903935 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24600000 Y=0.24600000 Z=0.37500000
          MULT= 4          ISPLIT= 8
      -1: X=0.75400000 Y=0.24600000 Z=0.62500000
      -1: X=0.24600000 Y=0.75400000 Z=0.12500000
      -1: X=0.75400000 Y=0.75400000 Z=0.87500000
Zn         NPT=  781  R0=.000050000 RMT= 1.96        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.23300000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76700000 Y=0.00000000 Z=0.25000000
      -2: X=0.00000000 Y=0.76700000 Z=0.50000000
      -2: X=0.23300000 Y=0.00000000 Z=0.75000000
Zn         NPT=  781  R0=.000050000 RMT= 1.96        Z:  30.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.50000000 Y=0.24600000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.75400000 Y=0.50000000 Z=0.25000000
      -3: X=0.50000000 Y=0.75400000 Z=0.50000000
      -3: X=0.24600000 Y=0.50000000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.89        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=0.27000000 Y=0.02500000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.97500000 Y=0.27000000 Z=0.25000000
      -4: X=0.27000000 Y=0.97500000 Z=0.50000000
      -4: X=0.73000000 Y=0.97500000 Z=0.50000000
      -4: X=0.02500000 Y=0.27000000 Z=0.75000000
      -4: X=0.02500000 Y=0.73000000 Z=0.75000000
      -4: X=0.73000000 Y=0.02500000 Z=0.00000000
      -4: X=0.97500000 Y=0.73000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.51300000 Y=0.26400000 Z=0.23100000
          MULT= 8          ISPLIT= 8
      -5: X=0.73600000 Y=0.51300000 Z=0.48100000
      -5: X=0.51300000 Y=0.73600000 Z=0.26900000
      -5: X=0.48700000 Y=0.73600000 Z=0.73100000
      -5: X=0.26400000 Y=0.51300000 Z=0.51900000
      -5: X=0.26400000 Y=0.48700000 Z=0.98100000
      -5: X=0.48700000 Y=0.26400000 Z=0.76900000
      -5: X=0.73600000 Y=0.48700000 Z=0.01900000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000