B   LATTICE,NONEQUIV.ATOMS   7   44 Imm2                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.334912 18.969260 16.790217 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.65501000
          MULT= 1          ISPLIT= 8
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  -2: X=0.00000000 Y=0.50000000 Z=0.80064000
          MULT= 1          ISPLIT= 8
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=0.29936000 Z=0.38326000
          MULT= 2          ISPLIT= 8
      -3: X=0.00000000 Y=0.70064000 Z=0.38326000
As         NPT=  781  R0=.000050000 RMT= 1.72        Z:  33.00000              
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=0.16220000 Z=0.06220000
          MULT= 2          ISPLIT= 8
      -4: X=0.00000000 Y=0.83780000 Z=0.06220000
Al         NPT=  781  R0=.000100000 RMT= 1.61        Z:  13.00000              
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=0.00000000 Z=0.00110000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.16300000 Z=0.26070000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.83700000 Z=0.26070000
O          NPT=  781  R0=.000100000 RMT= 1.56        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=0.25750000 Y=0.25250000 Z=0.00010000
          MULT= 4          ISPLIT= 8
      -7: X=0.74250000 Y=0.74750000 Z=0.00010000
      -7: X=0.74250000 Y=0.25250000 Z=0.00010000
      -7: X=0.25750000 Y=0.74750000 Z=0.00010000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000