P   LATTICE,NONEQUIV.ATOMS   6   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 14.741754 13.177060 12.409832 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.80960000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.19040000 Z=0.50000000
As         NPT=  781  R0=.000050000 RMT= 2.18        Z:  33.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.14870000 Z=0.52890000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.85130000 Z=0.02890000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.27030000 Y=0.69770000 Z=0.48000000
          MULT= 4          ISPLIT= 8
      -3: X=0.22970000 Y=0.30230000 Z=0.98000000
      -3: X=0.72970000 Y=0.69770000 Z=0.48000000
      -3: X=0.77030000 Y=0.30230000 Z=0.98000000
Ag         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  47.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.81210000 Z=0.67080000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.18790000 Z=0.17080000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.09460000 Z=0.13480000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.90540000 Z=0.63480000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.22760000 Y=0.65490000 Z=0.10380000
          MULT= 4          ISPLIT= 8
      -6: X=0.27240000 Y=0.34510000 Z=0.60380000
      -6: X=0.77240000 Y=0.65490000 Z=0.10380000
      -6: X=0.72760000 Y=0.34510000 Z=0.60380000
S          NPT=  781  R0=.000100000 RMT= 1.88        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000