CXZ LATTICE,NONEQUIV.ATOMS  12   15 B2/b    
MODE OF CALC=RELA unit=bohr
 18.700730 25.721062 31.261739 90.000000 90.000000 79.240000
ATOM  -1: X=0.85200000 Y=0.47540000 Z=0.15590000
          MULT= 4          ISPLIT=15
      -1: X=0.14800000 Y=0.52460000 Z=0.84410000
      -1: X=0.14800000 Y=0.02460000 Z=0.15590000
      -1: X=0.85200000 Y=0.97540000 Z=0.84410000
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=0.85850000 Y=0.38950000 Z=0.29830000
          MULT= 4          ISPLIT=15
      -2: X=0.14150000 Y=0.61050000 Z=0.70170000
      -2: X=0.14150000 Y=0.11050000 Z=0.29830000
      -2: X=0.85850000 Y=0.88950000 Z=0.70170000
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=0.63170000 Y=0.42080000 Z=0.21330000
          MULT= 4          ISPLIT=15
      -3: X=0.36830000 Y=0.57920000 Z=0.78670000
      -3: X=0.36830000 Y=0.07920000 Z=0.21330000
      -3: X=0.63170000 Y=0.92080000 Z=0.78670000
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=0.74400000 Y=0.08960000 Z=0.38170000
          MULT= 4          ISPLIT=15
      -4: X=0.25600000 Y=0.91040000 Z=0.61830000
      -4: X=0.25600000 Y=0.41040000 Z=0.38170000
      -4: X=0.74400000 Y=0.58960000 Z=0.61830000
Rb         NPT=  781  R0=.000010000 RMT=   2.00000   Z:  37.00000
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.70720000 Y=0.21080000 Z=0.02100000
          MULT= 4          ISPLIT=15
      -5: X=0.29280000 Y=0.78920000 Z=0.97900000
      -5: X=0.29280000 Y=0.28920000 Z=0.02100000
      -5: X=0.70720000 Y=0.71080000 Z=0.97900000
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=0.63490000 Y=0.50460000 Z=0.08320000
          MULT= 4          ISPLIT=15
      -6: X=0.36510000 Y=0.49540000 Z=0.91680000
      -6: X=0.36510000 Y=0.99540000 Z=0.08320000
      -6: X=0.63490000 Y=0.00460000 Z=0.91680000
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=0.64730000 Y=0.34790000 Z=0.34630000
          MULT= 4          ISPLIT=15
      -7: X=0.35270000 Y=0.65210000 Z=0.65370000
      -7: X=0.35270000 Y=0.15210000 Z=0.34630000
      -7: X=0.64730000 Y=0.84790000 Z=0.65370000
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=0.94900000 Y=0.05210000 Z=0.23930000
          MULT= 4          ISPLIT=15
      -8: X=0.05100000 Y=0.94790000 Z=0.76070000
      -8: X=0.05100000 Y=0.44790000 Z=0.23930000
      -8: X=0.94900000 Y=0.55210000 Z=0.76070000
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=0.83350000 Y=0.30340000 Z=0.17450000
          MULT= 4          ISPLIT=15
      -9: X=0.16650000 Y=0.69660000 Z=0.82550000
      -9: X=0.16650000 Y=0.19660000 Z=0.17450000
      -9: X=0.83350000 Y=0.80340000 Z=0.82550000
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=0.54290000 Y=0.17290000 Z=0.17460000
          MULT= 4          ISPLIT=15
     -10: X=0.45710000 Y=0.82710000 Z=0.82540000
     -10: X=0.45710000 Y=0.32710000 Z=0.17460000
     -10: X=0.54290000 Y=0.67290000 Z=0.82540000
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=0.99970000 Y=0.06600000 Z=0.03560000
          MULT= 4          ISPLIT=15
     -11: X=0.00030000 Y=0.93400000 Z=0.96440000
     -11: X=0.00030000 Y=0.43400000 Z=0.03560000
     -11: X=0.99970000 Y=0.56600000 Z=0.96440000
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=0.37290000
          MULT= 2          ISPLIT=15
     -12: X=0.00000000 Y=0.75000000 Z=0.62710000
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