P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.014759 12.387155 12.961632 90.000000 90.000000 92.640000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.00000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.42        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=0.28020000 Y=0.27210000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.71980000 Y=0.72790000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.16        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.46620000 Y=0.79770000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.53380000 Y=0.20230000 Z=0.75000000
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  -4: X=0.83730000 Y=0.45370000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.16270000 Y=0.54630000 Z=0.75000000
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  -5: X=0.23470000 Y=0.09210000 Z=0.51250000
          MULT= 4          ISPLIT= 8
      -5: X=0.76530000 Y=0.90790000 Z=0.48750000
      -5: X=0.76530000 Y=0.90790000 Z=0.01250000
      -5: X=0.23470000 Y=0.09210000 Z=0.98750000
S          NPT=  781  R0=.000100000 RMT= 1.86        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  -6: X=0.17150000 Y=0.55000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.82850000 Y=0.45000000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.86        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=0.50470000 Y=0.30710000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.49530000 Y=0.69290000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.86        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000