P   LATTICE,NONEQUIV.ATOMS  11   31 Pmn21                                      
MODE OF CALC=RELA unit=bohr                                                    
  7.735027 17.637003 28.819268 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.10552000 Z=0.59561000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.89448000 Z=0.09561000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.60597000 Z=0.97619000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.39403000 Z=0.47619000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.19433000 Z=0.19631000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.80567000 Z=0.69631000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.47645000 Z=0.24570000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.52355000 Z=0.74570000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.85383000 Z=0.38701000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.14617000 Z=0.88701000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
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=0.59271000 Z=0.54478000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.40729000 Z=0.04478000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
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=0.70593000 Z=0.14154000
          MULT= 2          ISPLIT= 8
      -7: X=0.50000000 Y=0.29407000 Z=0.64154000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.42844000 Z=0.84067000
          MULT= 2          ISPLIT= 8
      -8: X=0.50000000 Y=0.57156000 Z=0.34067000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -9: X=0.00000000 Y=0.22497000 Z=0.43132000
          MULT= 2          ISPLIT= 8
      -9: X=0.50000000 Y=0.77503000 Z=0.93132000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -10: X=0.00000000 Y=0.07105000 Z=0.04060000
          MULT= 2          ISPLIT= 8
     -10: X=0.50000000 Y=0.92895000 Z=0.54060000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM -11: X=0.00000000 Y=0.96582000 Z=0.75135000
          MULT= 2          ISPLIT= 8
     -11: X=0.50000000 Y=0.03418000 Z=0.25135000
Se         NPT=  781  R0=.000050000 RMT= 2.42        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000