CXY LATTICE,NONEQUIV.ATOMS   7   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 28.405418 27.376463 23.656348 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.10360000 Y=0.05469000 Z=0.10606000
          MULT= 8          ISPLIT= 8
      -1: X=0.89640000 Y=0.94531000 Z=0.89394000
      -1: X=0.10360000 Y=0.55469000 Z=0.39394000
      -1: X=0.89640000 Y=0.44531000 Z=0.60606000
      -1: X=0.89640000 Y=0.05469000 Z=0.10606000
      -1: X=0.10360000 Y=0.94531000 Z=0.89394000
      -1: X=0.89640000 Y=0.55469000 Z=0.39394000
      -1: X=0.10360000 Y=0.44531000 Z=0.60606000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.39332000 Z=0.42619000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.60668000 Z=0.57381000
      -2: X=0.00000000 Y=0.89332000 Z=0.07381000
      -2: X=0.00000000 Y=0.10668000 Z=0.92619000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25829000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.74171000 Y=0.00000000 Z=0.00000000
      -3: X=0.25829000 Y=0.50000000 Z=0.50000000
      -3: X=0.74171000 Y=0.50000000 Z=0.50000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
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=0.13576000 Z=0.26690000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.86424000 Z=0.73310000
      -4: X=0.00000000 Y=0.63576000 Z=0.23310000
      -4: X=0.00000000 Y=0.36424000 Z=0.76690000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.12317000 Y=0.40283000 Z=0.25931000
          MULT= 8          ISPLIT= 8
      -5: X=0.87683000 Y=0.59717000 Z=0.74069000
      -5: X=0.12317000 Y=0.90283000 Z=0.24069000
      -5: X=0.87683000 Y=0.09717000 Z=0.75931000
      -5: X=0.87683000 Y=0.40283000 Z=0.25931000
      -5: X=0.12317000 Y=0.59717000 Z=0.74069000
      -5: X=0.87683000 Y=0.90283000 Z=0.24069000
      -5: X=0.12317000 Y=0.09717000 Z=0.75931000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.12351000 Y=0.22989000 Z=0.01403000
          MULT= 8          ISPLIT= 8
      -6: X=0.87649000 Y=0.77011000 Z=0.98597000
      -6: X=0.12351000 Y=0.72989000 Z=0.48597000
      -6: X=0.87649000 Y=0.27011000 Z=0.51403000
      -6: X=0.87649000 Y=0.22989000 Z=0.01403000
      -6: X=0.12351000 Y=0.77011000 Z=0.98597000
      -6: X=0.87649000 Y=0.72989000 Z=0.48597000
      -6: X=0.12351000 Y=0.27011000 Z=0.51403000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.25000000 Y=0.14073000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -7: X=0.75000000 Y=0.85927000 Z=0.75000000
      -7: X=0.25000000 Y=0.64073000 Z=0.25000000
      -7: X=0.75000000 Y=0.35927000 Z=0.75000000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000