B   LATTICE,NONEQUIV.ATOMS  10  120 I-4c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 22.045545 22.045545 23.717953 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
Rb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  37.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.15960000 Y=0.15850000 Z=0.06190000
          MULT= 8          ISPLIT= 8
      -2: X=0.15850000 Y=0.84040000 Z=0.93810000
      -2: X=0.84040000 Y=0.15850000 Z=0.56190000
      -2: X=0.84040000 Y=0.84150000 Z=0.06190000
      -2: X=0.15850000 Y=0.15960000 Z=0.43810000
      -2: X=0.84150000 Y=0.15960000 Z=0.93810000
      -2: X=0.15960000 Y=0.84150000 Z=0.56190000
      -2: X=0.84150000 Y=0.84040000 Z=0.43810000
Rb         NPT=  781  R0=.000010000 RMT= 2.47        Z:  37.00000              
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= 1.58        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=0.42370000 Y=0.20740000 Z=0.24930000
          MULT= 8          ISPLIT= 8
      -4: X=0.20740000 Y=0.57630000 Z=0.75070000
      -4: X=0.57630000 Y=0.20740000 Z=0.74930000
      -4: X=0.57630000 Y=0.79260000 Z=0.24930000
      -4: X=0.20740000 Y=0.42370000 Z=0.25070000
      -4: X=0.79260000 Y=0.42370000 Z=0.75070000
      -4: X=0.42370000 Y=0.79260000 Z=0.74930000
      -4: X=0.79260000 Y=0.57630000 Z=0.25070000
Al         NPT=  781  R0=.000100000 RMT= 1.58        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=0.00110000 Y=0.15550000 Z=0.24850000
          MULT= 8          ISPLIT= 8
      -5: X=0.15550000 Y=0.99890000 Z=0.75150000
      -5: X=0.99890000 Y=0.15550000 Z=0.74850000
      -5: X=0.99890000 Y=0.84450000 Z=0.24850000
      -5: X=0.15550000 Y=0.00110000 Z=0.25150000
      -5: X=0.84450000 Y=0.00110000 Z=0.75150000
      -5: X=0.00110000 Y=0.84450000 Z=0.74850000
      -5: X=0.84450000 Y=0.99890000 Z=0.25150000
F          NPT=  781  R0=.000100000 RMT= 1.67        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=0.06670000 Y=0.35810000 Z=0.24880000
          MULT= 8          ISPLIT= 8
      -6: X=0.35810000 Y=0.93330000 Z=0.75120000
      -6: X=0.93330000 Y=0.35810000 Z=0.74880000
      -6: X=0.93330000 Y=0.64190000 Z=0.24880000
      -6: X=0.35810000 Y=0.06670000 Z=0.25120000
      -6: X=0.64190000 Y=0.06670000 Z=0.75120000
      -6: X=0.06670000 Y=0.64190000 Z=0.74880000
      -6: X=0.64190000 Y=0.93330000 Z=0.25120000
F          NPT=  781  R0=.000100000 RMT= 1.67        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=0.20610000 Y=0.42230000 Z=0.11150000
          MULT= 8          ISPLIT= 8
      -7: X=0.42230000 Y=0.79390000 Z=0.88850000
      -7: X=0.79390000 Y=0.42230000 Z=0.61150000
      -7: X=0.79390000 Y=0.57770000 Z=0.11150000
      -7: X=0.42230000 Y=0.20610000 Z=0.38850000
      -7: X=0.57770000 Y=0.20610000 Z=0.88850000
      -7: X=0.20610000 Y=0.57770000 Z=0.61150000
      -7: X=0.57770000 Y=0.79390000 Z=0.38850000
F          NPT=  781  R0=.000100000 RMT= 1.67        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=0.41990000 Y=0.21110000 Z=0.11000000
          MULT= 8          ISPLIT= 8
      -8: X=0.21110000 Y=0.58010000 Z=0.89000000
      -8: X=0.58010000 Y=0.21110000 Z=0.61000000
      -8: X=0.58010000 Y=0.78890000 Z=0.11000000
      -8: X=0.21110000 Y=0.41990000 Z=0.39000000
      -8: X=0.78890000 Y=0.41990000 Z=0.89000000
      -8: X=0.41990000 Y=0.78890000 Z=0.61000000
      -8: X=0.78890000 Y=0.58010000 Z=0.39000000
F          NPT=  781  R0=.000100000 RMT= 1.67        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=0.28160000 Y=0.28160000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -9: X=0.28160000 Y=0.71840000 Z=0.75000000
      -9: X=0.71840000 Y=0.28160000 Z=0.75000000
      -9: X=0.71840000 Y=0.71840000 Z=0.25000000
F          NPT=  781  R0=.000100000 RMT= 1.67        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=0.11210000
          MULT= 4          ISPLIT= 8
     -10: X=0.00000000 Y=0.00000000 Z=0.88790000
     -10: X=0.00000000 Y=0.00000000 Z=0.61210000
     -10: X=0.00000000 Y=0.00000000 Z=0.38790000
F          NPT=  781  R0=.000100000 RMT= 1.67        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000