P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.372252 12.205741 12.602584 90.000000 90.000000 93.840000                   
ATOM  -1: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
Au         NPT=  781  R0=.000005000 RMT= 2.43        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=0.22960000 Y=0.28430000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.77040000 Y=0.71570000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.85        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.04139000 Y=0.78960000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.95861000 Y=0.21040000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.65382000 Y=0.42420000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.34618000 Y=0.57580000 Z=0.75000000
Tl         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  81.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.26940000 Y=0.11760000 Z=0.50860000
          MULT= 4          ISPLIT= 8
      -5: X=0.73060000 Y=0.88240000 Z=0.49140000
      -5: X=0.73060000 Y=0.88240000 Z=0.00860000
      -5: X=0.26940000 Y=0.11760000 Z=0.99140000
S          NPT=  781  R0=.000100000 RMT= 1.89        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=0.34560000 Y=0.56230000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.65440000 Y=0.43770000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        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=0.01110000 Y=0.30200000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.98890000 Y=0.69800000 Z=0.75000000
S          NPT=  781  R0=.000100000 RMT= 1.89        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000