CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b    
MODE OF CALC=RELA unit=bohr
 18.927497 25.945940 32.529746 90.000000 90.000000 79.350000
ATOM  -1: X=0.84690000 Y=0.47640000 Z=0.15700000
          MULT= 4          ISPLIT=15
      -1: X=0.15310000 Y=0.52360000 Z=0.84300000
      -1: X=0.15310000 Y=0.02360000 Z=0.15700000
      -1: X=0.84690000 Y=0.97640000 Z=0.84300000
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=0.85960000 Y=0.39000000 Z=0.29500000
          MULT= 4          ISPLIT=15
      -2: X=0.14040000 Y=0.61000000 Z=0.70500000
      -2: X=0.14040000 Y=0.11000000 Z=0.29500000
      -2: X=0.85960000 Y=0.89000000 Z=0.70500000
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=0.63160000 Y=0.42110000 Z=0.21670000
          MULT= 4          ISPLIT=15
      -3: X=0.36840000 Y=0.57890000 Z=0.78330000
      -3: X=0.36840000 Y=0.07890000 Z=0.21670000
      -3: X=0.63160000 Y=0.92110000 Z=0.78330000
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=0.72020000 Y=0.08690000 Z=0.37600000
          MULT= 4          ISPLIT=15
      -4: X=0.27980000 Y=0.91310000 Z=0.62400000
      -4: X=0.27980000 Y=0.41310000 Z=0.37600000
      -4: X=0.72020000 Y=0.58690000 Z=0.62400000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   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  -5: X=0.70460000 Y=0.21580000 Z=0.02070000
          MULT= 4          ISPLIT=15
      -5: X=0.29540000 Y=0.78420000 Z=0.97930000
      -5: X=0.29540000 Y=0.28420000 Z=0.02070000
      -5: X=0.70460000 Y=0.71580000 Z=0.97930000
Cs         NPT=  781  R0=.000010000 RMT=   2.00000   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  -6: X=0.65190000 Y=0.34850000 Z=0.34490000
          MULT= 4          ISPLIT=15
      -6: X=0.34810000 Y=0.65150000 Z=0.65510000
      -6: X=0.34810000 Y=0.15150000 Z=0.34490000
      -6: X=0.65190000 Y=0.84850000 Z=0.65510000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.62690000 Y=0.50580000 Z=0.09160000
          MULT= 4          ISPLIT=15
      -7: X=0.37310000 Y=0.49420000 Z=0.90840000
      -7: X=0.37310000 Y=0.99420000 Z=0.09160000
      -7: X=0.62690000 Y=0.00580000 Z=0.90840000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.95170000 Y=0.05210000 Z=0.23630000
          MULT= 4          ISPLIT=15
      -8: X=0.04830000 Y=0.94790000 Z=0.76370000
      -8: X=0.04830000 Y=0.44790000 Z=0.23630000
      -8: X=0.95170000 Y=0.55210000 Z=0.76370000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.83330000 Y=0.30520000 Z=0.17630000
          MULT= 4          ISPLIT=15
      -9: X=0.16670000 Y=0.69480000 Z=0.82370000
      -9: X=0.16670000 Y=0.19480000 Z=0.17630000
      -9: X=0.83330000 Y=0.80520000 Z=0.82370000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.98700000 Y=0.43730000 Z=0.03300000
          MULT= 4          ISPLIT=15
     -10: X=0.01300000 Y=0.56270000 Z=0.96700000
     -10: X=0.01300000 Y=0.06270000 Z=0.03300000
     -10: X=0.98700000 Y=0.93730000 Z=0.96700000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.54500000 Y=0.17390000 Z=0.18330000
          MULT= 4          ISPLIT=15
     -11: X=0.45500000 Y=0.82610000 Z=0.81670000
     -11: X=0.45500000 Y=0.32610000 Z=0.18330000
     -11: X=0.54500000 Y=0.67390000 Z=0.81670000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.00000000 Y=0.25000000 Z=0.36170000
          MULT= 2          ISPLIT=15
     -12: X=0.00000000 Y=0.75000000 Z=0.63830000
S          NPT=  781  R0=.000100000 RMT=   2.00000   Z:  16.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000