P   LATTICE,NONEQUIV.ATOMS  12   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.602799 14.256472  7.090252 90.000000 90.000000 97.614000                   
ATOM  -1: X=0.03200000 Y=0.33700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.96800000 Y=0.66300000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.73        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=0.34100000 Y=0.23400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.65900000 Y=0.76600000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.73        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=0.72100000 Y=0.45200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.27900000 Y=0.54800000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.73        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=0.83500000 Y=0.24500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.16500000 Y=0.75500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.55100000 Y=0.32000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.44900000 Y=0.68000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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  -6: X=0.37200000 Y=0.00700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.62800000 Y=0.99300000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.12500000 Y=0.14500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.87500000 Y=0.85500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.24400000 Y=0.49000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.75600000 Y=0.51000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.66700000 Y=0.70100000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -9: X=0.33300000 Y=0.29900000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.95200000 Y=0.59500000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -10: X=0.04800000 Y=0.40500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.17100000 Y=0.90000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -11: X=0.82900000 Y=0.10000000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.60800000 Y=0.08400000 Z=0.25000000
          MULT= 2          ISPLIT= 8
     -12: X=0.39200000 Y=0.91600000 Z=0.75000000
Li         NPT=  781  R0=.000100000 RMT= 1.63        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000