CXY LATTICE,NONEQUIV.ATOMS   8   64 Cmca                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.903720 25.190049 24.736515 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
Pt         NPT=  781  R0=.000005000 RMT= 2.01        Z:  78.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.12500000 Z=0.13300000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.87500000 Z=0.86700000
      -2: X=0.00000000 Y=0.62500000 Z=0.36700000
      -2: X=0.00000000 Y=0.37500000 Z=0.63300000
Ti         NPT=  781  R0=.000050000 RMT= 1.99        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  -3: X=0.00000000 Y=0.47300000 Z=0.14600000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.52700000 Z=0.85400000
      -3: X=0.00000000 Y=0.97300000 Z=0.35400000
      -3: X=0.00000000 Y=0.02700000 Z=0.64600000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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=0.26800000 Z=0.39200000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.73200000 Z=0.60800000
      -4: X=0.00000000 Y=0.76800000 Z=0.10800000
      -4: X=0.00000000 Y=0.23200000 Z=0.89200000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
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=0.47400000 Z=0.35400000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.52600000 Z=0.64600000
      -5: X=0.00000000 Y=0.97400000 Z=0.14600000
      -5: X=0.00000000 Y=0.02600000 Z=0.85400000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -6: X=0.00000000 Y=0.27600000 Z=0.10100000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.72400000 Z=0.89900000
      -6: X=0.00000000 Y=0.77600000 Z=0.39900000
      -6: X=0.00000000 Y=0.22400000 Z=0.60100000
O          NPT=  781  R0=.000100000 RMT= 1.64        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  -7: X=0.25000000 Y=0.10700000 Z=0.01900000
          MULT= 8          ISPLIT= 8
      -7: X=0.75000000 Y=0.89300000 Z=0.98100000
      -7: X=0.25000000 Y=0.60700000 Z=0.48100000
      -7: X=0.75000000 Y=0.39300000 Z=0.51900000
      -7: X=0.75000000 Y=0.10700000 Z=0.01900000
      -7: X=0.25000000 Y=0.89300000 Z=0.98100000
      -7: X=0.75000000 Y=0.60700000 Z=0.48100000
      -7: X=0.25000000 Y=0.39300000 Z=0.51900000
O          NPT=  781  R0=.000100000 RMT= 1.64        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=0.25000000 Y=0.14500000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -8: X=0.75000000 Y=0.85500000 Z=0.75000000
      -8: X=0.25000000 Y=0.64500000 Z=0.25000000
      -8: X=0.75000000 Y=0.35500000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000