B   LATTICE,NONEQUIV.ATOMS   8   71 Immm                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.688291 17.383591 31.828657 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.15300000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.84700000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.26400000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -2: X=0.73600000 Y=0.50000000 Z=0.00000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 4          ISPLIT= 8
      -3: X=0.25000000 Y=0.25000000 Z=0.75000000
      -3: X=0.75000000 Y=0.25000000 Z=0.25000000
      -3: X=0.75000000 Y=0.25000000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.27300000 Z=0.41500000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.72700000 Z=0.58500000
      -4: X=0.00000000 Y=0.27300000 Z=0.58500000
      -4: X=0.00000000 Y=0.72700000 Z=0.41500000
Nb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  41.00000              
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=0.33200000
          MULT= 2          ISPLIT= 8
      -5: X=0.00000000 Y=0.00000000 Z=0.66800000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.00000000 Z=0.20600000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.00000000 Z=0.79400000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.24400000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.75600000 Y=0.00000000 Z=0.00000000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.30700000 Z=0.10400000
          MULT= 4          ISPLIT= 8
      -8: X=0.00000000 Y=0.69300000 Z=0.89600000
      -8: X=0.00000000 Y=0.30700000 Z=0.89600000
      -8: X=0.00000000 Y=0.69300000 Z=0.10400000
Sn         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000