B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 13.643823 19.199618 13.870590 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT= 8
      -1: X=0.25000000 Y=0.75000000 Z=0.25000000
Cd         NPT=  781  R0=.000010000 RMT= 2.33        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Cd         NPT=  781  R0=.000010000 RMT= 2.33        Z:  48.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.25000000 Y=0.75000000 Z=0.75000000
Sb         NPT=  781  R0=.000010000 RMT= 1.96        Z:  51.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.50000000 Z=0.50000000
Sb         NPT=  781  R0=.000010000 RMT= 1.96        Z:  51.00000              
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=0.25000000 Z=0.13900000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.75000000 Z=0.86100000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.00000000 Y=0.60700000 Z=0.27800000
          MULT= 4          ISPLIT= 8
      -6: X=0.00000000 Y=0.39300000 Z=0.72200000
      -6: X=0.00000000 Y=0.10700000 Z=0.72200000
      -6: X=0.00000000 Y=0.89300000 Z=0.27800000
O          NPT=  781  R0=.000100000 RMT= 1.69        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=0.30000000 Y=0.12500000 Z=0.05600000
          MULT= 8          ISPLIT= 8
      -7: X=0.70000000 Y=0.87500000 Z=0.94400000
      -7: X=0.30000000 Y=0.62500000 Z=0.94400000
      -7: X=0.70000000 Y=0.37500000 Z=0.05600000
      -7: X=0.70000000 Y=0.12500000 Z=0.05600000
      -7: X=0.30000000 Y=0.87500000 Z=0.94400000
      -7: X=0.70000000 Y=0.62500000 Z=0.94400000
      -7: X=0.30000000 Y=0.37500000 Z=0.05600000
O          NPT=  781  R0=.000100000 RMT= 1.69        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000