CXZ LATTICE,NONEQUIV.ATOMS  11    5 B2                                         
MODE OF CALC=RELA unit=bohr                                                    
 18.690525 18.985512 11.002363 90.000000 90.000000 71.697000                   
ATOM  -1: X=0.85950000 Y=0.39130000 Z=0.04700000
          MULT= 2          ISPLIT= 8
      -1: X=0.14050000 Y=0.60870000 Z=0.04700000
Bi         NPT=  781  R0=.000005000 RMT= 2.24        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=0.13170000 Y=0.12050000 Z=0.41760000
          MULT= 2          ISPLIT= 8
      -2: X=0.86830000 Y=0.87950000 Z=0.41760000
Bi         NPT=  781  R0=.000005000 RMT= 2.24        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=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.01        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.74690000 Y=0.25160000 Z=0.49640000
          MULT= 2          ISPLIT= 8
      -4: X=0.25310000 Y=0.74840000 Z=0.49640000
Sc         NPT=  781  R0=.000050000 RMT= 2.01        Z:  21.00000              
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=0.50000000 Z=0.49570000
          MULT= 1          ISPLIT= 8
Sc         NPT=  781  R0=.000050000 RMT= 2.01        Z:  21.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.58740000 Y=0.16240000 Z=0.55180000
          MULT= 2          ISPLIT= 8
      -6: X=0.41260000 Y=0.83760000 Z=0.55180000
O          NPT=  781  R0=.000100000 RMT= 1.82        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=0.92610000 Y=0.32810000 Z=0.42420000
          MULT= 2          ISPLIT= 8
      -7: X=0.07390000 Y=0.67190000 Z=0.42420000
O          NPT=  781  R0=.000100000 RMT= 1.82        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=0.66470000 Y=0.37450000 Z=0.19590000
          MULT= 2          ISPLIT= 8
      -8: X=0.33530000 Y=0.62550000 Z=0.19590000
O          NPT=  781  R0=.000100000 RMT= 1.82        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  -9: X=0.86420000 Y=0.58630000 Z=0.20020000
          MULT= 2          ISPLIT= 8
      -9: X=0.13580000 Y=0.41370000 Z=0.20020000
O          NPT=  781  R0=.000100000 RMT= 1.82        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 -10: X=0.84310000 Y=0.08290000 Z=0.25600000
          MULT= 2          ISPLIT= 8
     -10: X=0.15690000 Y=0.91710000 Z=0.25600000
O          NPT=  781  R0=.000100000 RMT= 1.82        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 -11: X=0.34540000 Y=0.10410000 Z=0.25860000
          MULT= 2          ISPLIT= 8
     -11: X=0.65460000 Y=0.89590000 Z=0.25860000
O          NPT=  781  R0=.000100000 RMT= 1.82        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000