CXY LATTICE,NONEQUIV.ATOMS   8   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.557446 15.520321 16.684392 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.26180000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.73820000 Z=0.75000000
Ti         NPT=  781  R0=.000050000 RMT= 1.84        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.20330000 Y=0.00130000 Z=0.00080000
          MULT= 4          ISPLIT= 8
      -2: X=0.79670000 Y=0.99870000 Z=0.50080000
      -2: X=0.79670000 Y=0.00130000 Z=0.00080000
      -2: X=0.20330000 Y=0.99870000 Z=0.50080000
K          NPT=  781  R0=.000050000 RMT= 2.30        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.70590000 Z=0.24960000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.29410000 Z=0.74960000
K          NPT=  781  R0=.000050000 RMT= 2.30        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.02160000 Z=0.24430000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.97840000 Z=0.74430000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.24620000 Z=0.03410000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75380000 Z=0.53410000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.23510000 Z=0.47010000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.76490000 Z=0.97010000
F          NPT=  781  R0=.000100000 RMT= 1.75        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.14340000 Y=0.42570000 Z=0.25530000
          MULT= 4          ISPLIT= 8
      -7: X=0.85660000 Y=0.57430000 Z=0.75530000
      -7: X=0.85660000 Y=0.42570000 Z=0.25530000
      -7: X=0.14340000 Y=0.57430000 Z=0.75530000
O          NPT=  781  R0=.000100000 RMT= 1.40        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=0.21080000 Y=0.26160000 Z=0.24330000
          MULT= 4          ISPLIT= 8
      -8: X=0.78920000 Y=0.73840000 Z=0.74330000
      -8: X=0.78920000 Y=0.26160000 Z=0.24330000
      -8: X=0.21080000 Y=0.73840000 Z=0.74330000
O          NPT=  781  R0=.000100000 RMT= 1.40        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000