B   LATTICE,NONEQUIV.ATOMS   7   82 I-4                                        
MODE OF CALC=RELA unit=bohr                                                    
 24.523165 24.523165  9.395340 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16423000 Y=0.33388000 Z=0.27188000
          MULT= 4          ISPLIT= 8
      -1: X=0.33388000 Y=0.83577000 Z=0.72812000
      -1: X=0.83577000 Y=0.66612000 Z=0.27188000
      -1: X=0.66612000 Y=0.16423000 Z=0.72812000
P          NPT=  781  R0=.000100000 RMT= 1.28        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.11073000 Y=0.41110000 Z=0.08950000
          MULT= 4          ISPLIT= 8
      -2: X=0.41110000 Y=0.88927000 Z=0.91050000
      -2: X=0.88927000 Y=0.58890000 Z=0.08950000
      -2: X=0.58890000 Y=0.11073000 Z=0.91050000
F          NPT=  781  R0=.000100000 RMT= 1.53        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  -3: X=0.36231000 Y=0.11959000 Z=0.04290000
          MULT= 4          ISPLIT= 8
      -3: X=0.11959000 Y=0.63769000 Z=0.95710000
      -3: X=0.63769000 Y=0.88041000 Z=0.04290000
      -3: X=0.88041000 Y=0.36231000 Z=0.95710000
F          NPT=  781  R0=.000100000 RMT= 1.53        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  -4: X=0.11110000 Y=0.05502000 Z=0.24570000
          MULT= 4          ISPLIT= 8
      -4: X=0.05502000 Y=0.88890000 Z=0.75430000
      -4: X=0.88890000 Y=0.94498000 Z=0.24570000
      -4: X=0.94498000 Y=0.11110000 Z=0.75430000
O          NPT=  781  R0=.000100000 RMT= 1.13        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  -5: X=0.27288000 Y=0.32238000 Z=0.22360000
          MULT= 4          ISPLIT= 8
      -5: X=0.32238000 Y=0.72712000 Z=0.77640000
      -5: X=0.72712000 Y=0.67762000 Z=0.22360000
      -5: X=0.67762000 Y=0.27288000 Z=0.77640000
O          NPT=  781  R0=.000100000 RMT= 1.13        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=0.10478000 Y=0.14310000 Z=0.24840000
          MULT= 4          ISPLIT= 8
      -6: X=0.14310000 Y=0.89522000 Z=0.75160000
      -6: X=0.89522000 Y=0.85690000 Z=0.24840000
      -6: X=0.85690000 Y=0.10478000 Z=0.75160000
C          NPT=  781  R0=.000100000 RMT= 1.02        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.08880000 Y=0.23537000 Z=0.24580000
          MULT= 4          ISPLIT= 8
      -7: X=0.23537000 Y=0.91120000 Z=0.75420000
      -7: X=0.91120000 Y=0.76463000 Z=0.24580000
      -7: X=0.76463000 Y=0.08880000 Z=0.75420000
N          NPT=  781  R0=.000100000 RMT= 1.17        Z:   7.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000