CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b    
MODE OF CALC=RELA unit=bohr
 32.440929 23.230403 18.952063 90.000000 90.000000 88.630000
ATOM  -1: X=0.65900000 Y=0.02720000 Z=0.34540000
          MULT= 4          ISPLIT=15
      -1: X=0.34100000 Y=0.97280000 Z=0.65460000
      -1: X=0.34100000 Y=0.47280000 Z=0.34540000
      -1: X=0.65900000 Y=0.52720000 Z=0.65460000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.79230000 Y=0.12720000 Z=0.32030000
          MULT= 4          ISPLIT=15
      -2: X=0.20770000 Y=0.87280000 Z=0.67970000
      -2: X=0.20770000 Y=0.37280000 Z=0.32030000
      -2: X=0.79230000 Y=0.62720000 Z=0.67970000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.70930000 Y=0.08100000 Z=0.10640000
          MULT= 4          ISPLIT=15
      -3: X=0.29070000 Y=0.91900000 Z=0.89360000
      -3: X=0.29070000 Y=0.41900000 Z=0.10640000
      -3: X=0.70930000 Y=0.58100000 Z=0.89360000
Re         NPT=  781  R0=.000005000 RMT=   2.00000   Z:  75.00000
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=0.25000000 Z=0.60510000
          MULT= 2          ISPLIT=15
      -4: X=0.00000000 Y=0.75000000 Z=0.39490000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.25000000 Z=0.21850000
          MULT= 2          ISPLIT=15
      -5: X=0.00000000 Y=0.75000000 Z=0.78150000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.88680000 Y=0.52020000 Z=0.23900000
          MULT= 4          ISPLIT=15
      -6: X=0.11320000 Y=0.47980000 Z=0.76100000
      -6: X=0.11320000 Y=0.97980000 Z=0.23900000
      -6: X=0.88680000 Y=0.02020000 Z=0.76100000
K          NPT=  781  R0=.000050000 RMT=   2.00000   Z:  19.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.83840000 Y=0.16950000 Z=0.08670000
          MULT= 4          ISPLIT=15
      -7: X=0.16160000 Y=0.83050000 Z=0.91330000
      -7: X=0.16160000 Y=0.33050000 Z=0.08670000
      -7: X=0.83840000 Y=0.66950000 Z=0.91330000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.75700000 Y=0.42790000 Z=0.04520000
          MULT= 4          ISPLIT=15
      -8: X=0.24300000 Y=0.57210000 Z=0.95480000
      -8: X=0.24300000 Y=0.07210000 Z=0.04520000
      -8: X=0.75700000 Y=0.92790000 Z=0.95480000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.66450000 Y=0.22340000 Z=0.27330000
          MULT= 4          ISPLIT=15
      -9: X=0.33550000 Y=0.77660000 Z=0.72670000
      -9: X=0.33550000 Y=0.27660000 Z=0.27330000
      -9: X=0.66450000 Y=0.72340000 Z=0.72670000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.91800000 Y=0.01910000 Z=0.36490000
          MULT= 4          ISPLIT=15
     -10: X=0.08200000 Y=0.98090000 Z=0.63510000
     -10: X=0.08200000 Y=0.48090000 Z=0.36490000
     -10: X=0.91800000 Y=0.51910000 Z=0.63510000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.53090000 Y=0.08250000 Z=0.46670000
          MULT= 4          ISPLIT=15
     -11: X=0.46910000 Y=0.91750000 Z=0.53330000
     -11: X=0.46910000 Y=0.41750000 Z=0.46670000
     -11: X=0.53090000 Y=0.58250000 Z=0.53330000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.85330000 Y=0.30600000 Z=0.40950000
          MULT= 4          ISPLIT=15
     -12: X=0.14670000 Y=0.69400000 Z=0.59050000
     -12: X=0.14670000 Y=0.19400000 Z=0.40950000
     -12: X=0.85330000 Y=0.80600000 Z=0.59050000
Se         NPT=  781  R0=.000050000 RMT=   2.00000   Z:  34.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000