P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.827676 12.277551 12.712188 90.000000 90.000000 92.690000                   
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= 2.43        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=0.28040000 Y=0.26690000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.71960000 Y=0.73310000 Z=0.75000000
P          NPT=  781  R0=.000100000 RMT= 1.84        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=0.46410000 Y=0.79590000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.53590000 Y=0.20410000 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=0.83460000 Y=0.45700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -4: X=0.16540000 Y=0.54300000 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=0.23780000 Y=0.09390000 Z=0.50540000
          MULT= 4          ISPLIT= 8
      -5: X=0.76220000 Y=0.90610000 Z=0.49460000
      -5: X=0.76220000 Y=0.90610000 Z=0.00540000
      -5: X=0.23780000 Y=0.09390000 Z=0.99460000
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=0.17380000 Y=0.52800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.82620000 Y=0.47200000 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=0.49390000 Y=0.30700000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.50610000 Y=0.69300000 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