CXY LATTICE,NONEQUIV.ATOMS   7   36 Cmc21                                      
MODE OF CALC=RELA unit=bohr                                                    
 36.692623 10.237024 10.248741 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.25170000 Z=0.52900000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.74830000 Z=0.02900000
Ca         NPT=  781  R0=.000050000 RMT= 2.13        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.18760000 Y=0.25900000 Z=0.47470000
          MULT= 4          ISPLIT= 8
      -2: X=0.81240000 Y=0.74100000 Z=0.97470000
      -2: X=0.81240000 Y=0.25900000 Z=0.47470000
      -2: X=0.18760000 Y=0.74100000 Z=0.97470000
Ca         NPT=  781  R0=.000050000 RMT= 2.13        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.09890000 Y=0.24910000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.90110000 Y=0.75090000 Z=0.50000000
      -3: X=0.90110000 Y=0.24910000 Z=0.00000000
      -3: X=0.09890000 Y=0.75090000 Z=0.50000000
Ti         NPT=  781  R0=.000050000 RMT= 1.91        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=0.00000000 Y=0.81240000 Z=0.48680000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.18760000 Z=0.98680000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.19720000 Y=0.30420000 Z=0.01320000
          MULT= 4          ISPLIT= 8
      -5: X=0.80280000 Y=0.69580000 Z=0.51320000
      -5: X=0.80280000 Y=0.30420000 Z=0.01320000
      -5: X=0.19720000 Y=0.69580000 Z=0.51320000
O          NPT=  781  R0=.000100000 RMT= 1.72        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=0.08600000 Y=0.46220000 Z=0.28830000
          MULT= 4          ISPLIT= 8
      -6: X=0.91400000 Y=0.53780000 Z=0.78830000
      -6: X=0.91400000 Y=0.46220000 Z=0.28830000
      -6: X=0.08600000 Y=0.53780000 Z=0.78830000
O          NPT=  781  R0=.000100000 RMT= 1.72        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=0.39010000 Y=0.46220000 Z=0.21170000
          MULT= 4          ISPLIT= 8
      -7: X=0.60990000 Y=0.53780000 Z=0.71170000
      -7: X=0.60990000 Y=0.46220000 Z=0.21170000
      -7: X=0.39010000 Y=0.53780000 Z=0.71170000
O          NPT=  781  R0=.000100000 RMT= 1.72        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000