CXZ LATTICE,NONEQUIV.ATOMS  13    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 25.556278 17.363938 10.447351 90.000000 90.000000 83.829000                   
ATOM  -1: X=0.93110000 Y=0.21290000 Z=0.50000000
          MULT= 2          ISPLIT= 8
      -1: X=0.06890000 Y=0.78710000 Z=0.50000000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.80610000 Y=0.63960000 Z=0.48700000
          MULT= 2          ISPLIT= 8
      -2: X=0.19390000 Y=0.36040000 Z=0.48700000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
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=0.50000000 Z=0.89660000
          MULT= 1          ISPLIT= 8
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.62580000 Y=0.07920000 Z=0.41480000
          MULT= 2          ISPLIT= 8
      -4: X=0.37420000 Y=0.92080000 Z=0.41480000
Bi         NPT=  781  R0=.000005000 RMT= 2.14        Z:  83.00000              
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=0.00000000 Z=0.63600000
          MULT= 1          ISPLIT= 8
O          NPT=  781  R0=.000100000 RMT= 1.78        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=0.57600000 Y=0.27000000 Z=0.20500000
          MULT= 2          ISPLIT= 8
      -6: X=0.42400000 Y=0.73000000 Z=0.20500000
O          NPT=  781  R0=.000100000 RMT= 1.78        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  -7: X=0.60100000 Y=0.54200000 Z=0.12000000
          MULT= 2          ISPLIT= 8
      -7: X=0.39900000 Y=0.45800000 Z=0.12000000
O          NPT=  781  R0=.000100000 RMT= 1.78        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  -8: X=0.00000000 Y=0.00000000 Z=0.21700000
          MULT= 1          ISPLIT= 8
F          NPT=  781  R0=.000100000 RMT= 1.84        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  -9: X=0.94700000 Y=0.71500000 Z=0.21000000
          MULT= 2          ISPLIT= 8
      -9: X=0.05300000 Y=0.28500000 Z=0.21000000
F          NPT=  781  R0=.000100000 RMT= 1.84        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 -10: X=0.81900000 Y=0.48300000 Z=0.13200000
          MULT= 2          ISPLIT= 8
     -10: X=0.18100000 Y=0.51700000 Z=0.13200000
F          NPT=  781  R0=.000100000 RMT= 1.84        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 -11: X=0.69500000 Y=0.05400000 Z=0.07100000
          MULT= 2          ISPLIT= 8
     -11: X=0.30500000 Y=0.94600000 Z=0.07100000
F          NPT=  781  R0=.000100000 RMT= 1.84        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 -12: X=0.35900000 Y=0.20300000 Z=0.39000000
          MULT= 2          ISPLIT= 8
     -12: X=0.64100000 Y=0.79700000 Z=0.39000000
F          NPT=  781  R0=.000100000 RMT= 1.84        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 -13: X=0.74500000 Y=0.26700000 Z=0.38300000
          MULT= 2          ISPLIT= 8
     -13: X=0.25500000 Y=0.73300000 Z=0.38300000
F          NPT=  781  R0=.000100000 RMT= 1.84        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000