P   LATTICE,NONEQUIV.ATOMS   9   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.015979 18.005311 16.259204 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.31410000 Z=0.28970000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.68590000 Z=0.78970000
As         NPT=  781  R0=.000050000 RMT= 2.34        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=0.57740000 Z=0.92350000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.42260000 Z=0.42350000
As         NPT=  781  R0=.000050000 RMT= 2.34        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  -3: X=0.19810000 Y=0.19430000 Z=0.90730000
          MULT= 4          ISPLIT= 8
      -3: X=0.30190000 Y=0.80570000 Z=0.40730000
      -3: X=0.80190000 Y=0.19430000 Z=0.90730000
      -3: X=0.69810000 Y=0.80570000 Z=0.40730000
As         NPT=  781  R0=.000050000 RMT= 2.34        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  -4: X=0.00000000 Y=0.32220000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.67780000 Z=0.50000000
Nb         NPT=  781  R0=.000010000 RMT= 2.34        Z:  41.00000              
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=0.96170000 Z=0.13260000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.03830000 Z=0.63260000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -6: X=0.00000000 Y=0.09570000 Z=0.60340000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.90430000 Z=0.10340000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.00000000 Y=0.65660000 Z=0.33750000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.34340000 Z=0.83750000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.29006000 Y=0.53370000 Z=0.12380000
          MULT= 4          ISPLIT= 8
      -8: X=0.20994000 Y=0.46630000 Z=0.62380000
      -8: X=0.70994000 Y=0.53370000 Z=0.12380000
      -8: X=0.79006000 Y=0.46630000 Z=0.62380000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.28750000 Y=0.16720000 Z=0.29500000
          MULT= 4          ISPLIT= 8
      -9: X=0.21250000 Y=0.83280000 Z=0.79500000
      -9: X=0.71250000 Y=0.16720000 Z=0.29500000
      -9: X=0.78750000 Y=0.83280000 Z=0.79500000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000