CXZ LATTICE,NONEQUIV.ATOMS  12   12 B2/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 39.400790 20.620692 10.639158 90.000000 90.000000 82.550000                   
ATOM  -1: X=0.88322000 Y=0.07740000 Z=0.23890000
          MULT= 4          ISPLIT= 8
      -1: X=0.11678000 Y=0.92260000 Z=0.76110000
      -1: X=0.11678000 Y=0.92260000 Z=0.23890000
      -1: X=0.88322000 Y=0.07740000 Z=0.76110000
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.60223000 Y=0.36740000 Z=0.25020000
          MULT= 4          ISPLIT= 8
      -2: X=0.39777000 Y=0.63260000 Z=0.74980000
      -2: X=0.39777000 Y=0.63260000 Z=0.25020000
      -2: X=0.60223000 Y=0.36740000 Z=0.74980000
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.90015000 Y=0.85200000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.09985000 Y=0.14800000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.79089000 Y=0.73230000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.20911000 Y=0.26770000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.62363000 Y=0.57350000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.37637000 Y=0.42650000 Z=0.00000000
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT= 8
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 8
Au         NPT=  781  R0=.000005000 RMT= 2.39        Z:  79.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.32620000 Y=0.23710000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -8: X=0.67380000 Y=0.76290000 Z=0.00000000
Ga         NPT=  781  R0=.000050000 RMT= 2.16        Z:  31.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.95270000 Y=0.34090000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -9: X=0.04730000 Y=0.65910000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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 -10: X=0.77640000 Y=0.41000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -10: X=0.22360000 Y=0.59000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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 -11: X=0.71810000 Y=0.10200000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -11: X=0.28190000 Y=0.89800000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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 -12: X=0.51420000 Y=0.16710000 Z=0.00000000
          MULT= 2          ISPLIT= 8
     -12: X=0.48580000 Y=0.83290000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000