B   LATTICE,NONEQUIV.ATOMS   7   74 Imma                                       
MODE OF CALC=RELA unit=bohr                                                    
 11.049229 19.460400 15.902045 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.24750000 Y=0.08200000 Z=0.03640000
          MULT= 8          ISPLIT= 8
      -1: X=0.75250000 Y=0.91800000 Z=0.96360000
      -1: X=0.24750000 Y=0.58200000 Z=0.96360000
      -1: X=0.75250000 Y=0.41800000 Z=0.03640000
      -1: X=0.75250000 Y=0.08200000 Z=0.03640000
      -1: X=0.24750000 Y=0.91800000 Z=0.96360000
      -1: X=0.75250000 Y=0.58200000 Z=0.96360000
      -1: X=0.24750000 Y=0.41800000 Z=0.03640000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.16090000 Y=0.54840000 Z=0.16570000
          MULT= 8          ISPLIT= 8
      -2: X=0.83910000 Y=0.45160000 Z=0.83430000
      -2: X=0.16090000 Y=0.04840000 Z=0.83430000
      -2: X=0.83910000 Y=0.95160000 Z=0.16570000
      -2: X=0.83910000 Y=0.54840000 Z=0.16570000
      -2: X=0.16090000 Y=0.45160000 Z=0.83430000
      -2: X=0.83910000 Y=0.04840000 Z=0.83430000
      -2: X=0.16090000 Y=0.95160000 Z=0.16570000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
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=0.10110000 Z=0.15290000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.89890000 Z=0.84710000
      -3: X=0.00000000 Y=0.60110000 Z=0.84710000
      -3: X=0.00000000 Y=0.39890000 Z=0.15290000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
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=0.66410000 Z=0.04720000
          MULT= 4          ISPLIT= 8
      -4: X=0.00000000 Y=0.33590000 Z=0.95280000
      -4: X=0.00000000 Y=0.16410000 Z=0.95280000
      -4: X=0.00000000 Y=0.83590000 Z=0.04720000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
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=0.14500000 Z=0.39410000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.85500000 Z=0.60590000
      -5: X=0.00000000 Y=0.64500000 Z=0.60590000
      -5: X=0.00000000 Y=0.35500000 Z=0.39410000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.25000000 Z=0.25410000
          MULT= 2          ISPLIT= 8
      -6: X=0.00000000 Y=0.75000000 Z=0.74590000
B          NPT=  781  R0=.000100000 RMT= 1.50        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.25000000 Z=0.66140000
          MULT= 2          ISPLIT= 8
      -7: X=0.00000000 Y=0.75000000 Z=0.33860000
Na         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000