B   LATTICE,NONEQUIV.ATOMS  10  120 I-4c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.317855 22.317855 25.273386 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34140000 Y=0.33910000 Z=0.06500000
          MULT= 8          ISPLIT= 8
      -2: X=0.33910000 Y=0.65860000 Z=0.93500000
      -2: X=0.65860000 Y=0.33910000 Z=0.56500000
      -2: X=0.65860000 Y=0.66090000 Z=0.06500000
      -2: X=0.33910000 Y=0.34140000 Z=0.43500000
      -2: X=0.66090000 Y=0.34140000 Z=0.93500000
      -2: X=0.34140000 Y=0.66090000 Z=0.56500000
      -2: X=0.66090000 Y=0.65860000 Z=0.43500000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
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=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 1.50        Z:  13.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07640000 Y=0.29270000 Z=0.24400000
          MULT= 8          ISPLIT= 8
      -4: X=0.29270000 Y=0.92360000 Z=0.75600000
      -4: X=0.92360000 Y=0.29270000 Z=0.74400000
      -4: X=0.92360000 Y=0.70730000 Z=0.24400000
      -4: X=0.29270000 Y=0.07640000 Z=0.25600000
      -4: X=0.70730000 Y=0.07640000 Z=0.75600000
      -4: X=0.07640000 Y=0.70730000 Z=0.74400000
      -4: X=0.70730000 Y=0.92360000 Z=0.25600000
Al         NPT=  781  R0=.000100000 RMT= 1.50        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=0.00040000 Y=0.15550000 Z=0.23900000
          MULT= 8          ISPLIT= 8
      -5: X=0.15550000 Y=0.99960000 Z=0.76100000
      -5: X=0.99960000 Y=0.15550000 Z=0.73900000
      -5: X=0.99960000 Y=0.84450000 Z=0.23900000
      -5: X=0.15550000 Y=0.00040000 Z=0.26100000
      -5: X=0.84450000 Y=0.00040000 Z=0.76100000
      -5: X=0.00040000 Y=0.84450000 Z=0.73900000
      -5: X=0.84450000 Y=0.99960000 Z=0.26100000
F          NPT=  781  R0=.000100000 RMT= 1.57        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=0.42830000 Y=0.13980000 Z=0.23850000
          MULT= 8          ISPLIT= 8
      -6: X=0.13980000 Y=0.57170000 Z=0.76150000
      -6: X=0.57170000 Y=0.13980000 Z=0.73850000
      -6: X=0.57170000 Y=0.86020000 Z=0.23850000
      -6: X=0.13980000 Y=0.42830000 Z=0.26150000
      -6: X=0.86020000 Y=0.42830000 Z=0.76150000
      -6: X=0.42830000 Y=0.86020000 Z=0.73850000
      -6: X=0.86020000 Y=0.57170000 Z=0.26150000
F          NPT=  781  R0=.000100000 RMT= 1.57        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=0.28100000 Y=0.07200000 Z=0.11900000
          MULT= 8          ISPLIT= 8
      -7: X=0.07200000 Y=0.71900000 Z=0.88100000
      -7: X=0.71900000 Y=0.07200000 Z=0.61900000
      -7: X=0.71900000 Y=0.92800000 Z=0.11900000
      -7: X=0.07200000 Y=0.28100000 Z=0.38100000
      -7: X=0.92800000 Y=0.28100000 Z=0.88100000
      -7: X=0.28100000 Y=0.92800000 Z=0.61900000
      -7: X=0.92800000 Y=0.71900000 Z=0.38100000
F          NPT=  781  R0=.000100000 RMT= 1.57        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=0.08000000 Y=0.30100000 Z=0.12200000
          MULT= 8          ISPLIT= 8
      -8: X=0.30100000 Y=0.92000000 Z=0.87800000
      -8: X=0.92000000 Y=0.30100000 Z=0.62200000
      -8: X=0.92000000 Y=0.69900000 Z=0.12200000
      -8: X=0.30100000 Y=0.08000000 Z=0.37800000
      -8: X=0.69900000 Y=0.08000000 Z=0.87800000
      -8: X=0.08000000 Y=0.69900000 Z=0.62200000
      -8: X=0.69900000 Y=0.92000000 Z=0.37800000
F          NPT=  781  R0=.000100000 RMT= 1.57        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  -9: X=0.21560000 Y=0.21560000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -9: X=0.21560000 Y=0.78440000 Z=0.75000000
      -9: X=0.78440000 Y=0.21560000 Z=0.75000000
      -9: X=0.78440000 Y=0.78440000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.57        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM -10: X=0.00000000 Y=0.00000000 Z=0.11620000
          MULT= 4          ISPLIT= 8
     -10: X=0.00000000 Y=0.00000000 Z=0.88380000
     -10: X=0.00000000 Y=0.00000000 Z=0.61620000
     -10: X=0.00000000 Y=0.00000000 Z=0.38380000
F          NPT=  781  R0=.000100000 RMT= 1.57        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000