CXY LATTICE,NONEQUIV.ATOMS   8   68 Ccca                                       
MODE OF CALC=RELA unit=bohr                                                    
 14.076192 23.567531 26.722806 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.00000000 Z=0.37647000
          MULT= 4          ISPLIT= 8
      -1: X=0.75000000 Y=0.00000000 Z=0.62353000
      -1: X=0.75000000 Y=0.50000000 Z=0.87647000
      -1: X=0.25000000 Y=0.50000000 Z=0.12353000
Sr         NPT=  781  R0=.000010000 RMT= 2.24        Z:  38.00000              
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=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.00000000 Y=0.75000000 Z=0.75000000
Sr         NPT=  781  R0=.000010000 RMT= 2.24        Z:  38.00000              
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=0.25000000 Z=0.53298000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.75000000 Z=0.46702000
      -3: X=0.00000000 Y=0.75000000 Z=0.03298000
      -3: X=0.00000000 Y=0.25000000 Z=0.96702000
Sr         NPT=  781  R0=.000010000 RMT= 2.24        Z:  38.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.00000000 Z=0.12822000
          MULT= 4          ISPLIT= 8
      -4: X=0.75000000 Y=0.00000000 Z=0.87178000
      -4: X=0.75000000 Y=0.50000000 Z=0.62822000
      -4: X=0.25000000 Y=0.50000000 Z=0.37178000
Al         NPT=  781  R0=.000100000 RMT= 1.63        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.16480000 Y=0.08402000 Z=0.21921000
          MULT= 8          ISPLIT= 8
      -5: X=0.83520000 Y=0.91598000 Z=0.78079000
      -5: X=0.16480000 Y=0.58402000 Z=0.78079000
      -5: X=0.83520000 Y=0.41598000 Z=0.21921000
      -5: X=0.83520000 Y=0.58402000 Z=0.71921000
      -5: X=0.16480000 Y=0.41598000 Z=0.28079000
      -5: X=0.83520000 Y=0.08402000 Z=0.28079000
      -5: X=0.16480000 Y=0.91598000 Z=0.71921000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.19140000 Y=0.30254000 Z=0.10451000
          MULT= 8          ISPLIT= 8
      -6: X=0.80860000 Y=0.69746000 Z=0.89549000
      -6: X=0.19140000 Y=0.80254000 Z=0.89549000
      -6: X=0.80860000 Y=0.19746000 Z=0.10451000
      -6: X=0.80860000 Y=0.80254000 Z=0.60451000
      -6: X=0.19140000 Y=0.19746000 Z=0.39549000
      -6: X=0.80860000 Y=0.30254000 Z=0.39549000
      -6: X=0.19140000 Y=0.69746000 Z=0.60451000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.45040000 Y=0.08204000 Z=0.12743000
          MULT= 8          ISPLIT= 8
      -7: X=0.54960000 Y=0.91796000 Z=0.87257000
      -7: X=0.45040000 Y=0.58204000 Z=0.87257000
      -7: X=0.54960000 Y=0.41796000 Z=0.12743000
      -7: X=0.54960000 Y=0.58204000 Z=0.62743000
      -7: X=0.45040000 Y=0.41796000 Z=0.37257000
      -7: X=0.54960000 Y=0.08204000 Z=0.37257000
      -7: X=0.45040000 Y=0.91796000 Z=0.62743000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.15130000 Y=0.08187000 Z=0.03786000
          MULT= 8          ISPLIT= 8
      -8: X=0.84870000 Y=0.91813000 Z=0.96214000
      -8: X=0.15130000 Y=0.58187000 Z=0.96214000
      -8: X=0.84870000 Y=0.41813000 Z=0.03786000
      -8: X=0.84870000 Y=0.58187000 Z=0.53786000
      -8: X=0.15130000 Y=0.41813000 Z=0.46214000
      -8: X=0.84870000 Y=0.08187000 Z=0.46214000
      -8: X=0.15130000 Y=0.91813000 Z=0.53786000
F          NPT=  781  R0=.000100000 RMT= 1.71        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000