P   LATTICE,NONEQUIV.ATOMS  12   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.249420 16.185504  7.184739 90.000000 90.000000101.589000                   
ATOM  -1: X=0.40500000 Y=0.81800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.59500000 Y=0.18200000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.84600000 Y=0.99200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.15400000 Y=0.00800000 Z=0.75000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.71900000 Y=0.47200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.28100000 Y=0.52800000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.68        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=0.32700000 Y=0.25300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.67300000 Y=0.74700000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.68        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=0.01900000 Y=0.35800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.98100000 Y=0.64200000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.68        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=0.80500000 Y=0.27900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.19500000 Y=0.72100000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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  -7: X=0.52700000 Y=0.36000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.47300000 Y=0.64000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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  -8: X=0.35500000 Y=0.06200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.64500000 Y=0.93800000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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  -9: X=0.11500000 Y=0.18600000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.88500000 Y=0.81400000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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 -10: X=0.25500000 Y=0.50300000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.74500000 Y=0.49700000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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 -11: X=0.68700000 Y=0.70900000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.31300000 Y=0.29100000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        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 -12: X=0.96900000 Y=0.59500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.03100000 Y=0.40500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.52        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000