CXZ LATTICE,NONEQUIV.ATOMS  11   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 29.387131 18.379476 18.657266 90.000000 90.000000 71.910000                   
ATOM  -1: X=0.85372000 Y=0.36590000 Z=0.20270000
          MULT= 4          ISPLIT= 8
      -1: X=0.14628000 Y=0.63410000 Z=0.79730000
      -1: X=0.14628000 Y=0.63410000 Z=0.20270000
      -1: X=0.85372000 Y=0.36590000 Z=0.79730000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.63841000 Y=0.22750000 Z=0.28190000
          MULT= 4          ISPLIT= 8
      -2: X=0.36159000 Y=0.77250000 Z=0.71810000
      -2: X=0.36159000 Y=0.77250000 Z=0.28190000
      -2: X=0.63841000 Y=0.22750000 Z=0.71810000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.80310000 Y=0.08510000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.19690000 Y=0.91490000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.49640000 Y=0.20240000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.50360000 Y=0.79760000 Z=0.00000000
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
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=0.00000000
          MULT= 1          ISPLIT= 8
Ca         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.84190000 Y=0.08270000 Z=0.36530000
          MULT= 4          ISPLIT= 8
      -6: X=0.15810000 Y=0.91730000 Z=0.63470000
      -6: X=0.15810000 Y=0.91730000 Z=0.36530000
      -6: X=0.84190000 Y=0.08270000 Z=0.63470000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.99870000 Y=0.15780000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -7: X=0.00130000 Y=0.84220000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.74140000 Y=0.65480000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.25860000 Y=0.34520000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.66020000 Y=0.43110000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.33980000 Y=0.56890000 Z=0.00000000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.00000000 Y=0.50000000 Z=0.35420000
          MULT= 2          ISPLIT= 8
     -10: X=0.00000000 Y=0.50000000 Z=0.64580000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.00000000 Y=0.00000000 Z=0.22490000
          MULT= 2          ISPLIT= 8
     -11: X=0.00000000 Y=0.00000000 Z=0.77510000
Al         NPT=  781  R0=.000100000 RMT= 2.50        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000