P   LATTICE,NONEQUIV.ATOMS   7   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 19.830786 14.237197 11.321349 90.000000 90.000000110.500000                   
ATOM  -1: X=0.07840000 Y=0.44520000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -1: X=0.92160000 Y=0.55480000 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  -2: X=0.64800000 Y=0.52130000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.35200000 Y=0.47870000 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  -3: X=0.42730000 Y=0.86620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -3: X=0.57270000 Y=0.13380000 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=0.15740000 Y=0.02630000 Z=0.00020000
          MULT= 4          ISPLIT= 8
      -4: X=0.84260000 Y=0.97370000 Z=0.99980000
      -4: X=0.84260000 Y=0.97370000 Z=0.50020000
      -4: X=0.15740000 Y=0.02630000 Z=0.49980000
Al         NPT=  781  R0=.000100000 RMT= 2.17        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  -5: X=0.96880000 Y=0.81130000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.03120000 Y=0.18870000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.40        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  -6: X=0.31890000 Y=0.25350000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.68110000 Y=0.74650000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.40        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  -7: X=0.75520000 Y=0.15800000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.24480000 Y=0.84200000 Z=0.75000000
As         NPT=  781  R0=.000050000 RMT= 2.40        Z:  33.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000