P   LATTICE,NONEQUIV.ATOMS   8    2 P-1                                        
MODE OF CALC=RELA unit=bohr                                                    
 12.642268 12.774549 12.831240 91.370000 94.350000 98.870000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Ti         NPT=  781  R0=.000050000 RMT= 2.39        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=0.23100000 Y=0.41700000 Z=0.56400000
          MULT= 2          ISPLIT= 8
      -2: X=0.76900000 Y=0.58300000 Z=0.43600000
Mo         NPT=  781  R0=.000010000 RMT= 2.19        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.41800000 Y=0.56800000 Z=0.23200000
          MULT= 2          ISPLIT= 8
      -3: X=0.58200000 Y=0.43200000 Z=0.76800000
Mo         NPT=  781  R0=.000010000 RMT= 2.19        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.56700000 Y=0.22600000 Z=0.41800000
          MULT= 2          ISPLIT= 8
      -4: X=0.43300000 Y=0.77400000 Z=0.58200000
Mo         NPT=  781  R0=.000010000 RMT= 2.19        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.12600000 Y=0.76500000 Z=0.38500000
          MULT= 2          ISPLIT= 8
      -5: X=0.87400000 Y=0.23500000 Z=0.61500000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.23200000 Y=0.22500000 Z=0.25500000
          MULT= 2          ISPLIT= 8
      -6: X=0.76800000 Y=0.77500000 Z=0.74500000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.37300000 Y=0.12300000 Z=0.71800000
          MULT= 2          ISPLIT= 8
      -7: X=0.62700000 Y=0.87700000 Z=0.28200000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.74800000 Y=0.35900000 Z=0.14400000
          MULT= 2          ISPLIT= 8
      -8: X=0.25200000 Y=0.64100000 Z=0.85600000
Se         NPT=  781  R0=.000050000 RMT= 2.19        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000