P   LATTICE,NONEQUIV.ATOMS  10   11 P21/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 15.214185 14.360029 23.952279 90.000000 90.000000106.270000                   
ATOM  -1: X=0.43920000 Y=0.47670000 Z=0.11000000
          MULT= 4          ISPLIT= 8
      -1: X=0.56080000 Y=0.52330000 Z=0.89000000
      -1: X=0.56080000 Y=0.52330000 Z=0.61000000
      -1: X=0.43920000 Y=0.47670000 Z=0.39000000
Nb         NPT=  781  R0=.000010000 RMT= 2.12        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.02230000 Y=0.09390000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.97770000 Y=0.90610000 Z=0.75000000
Nb         NPT=  781  R0=.000010000 RMT= 2.12        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.65700000 Y=0.31500000 Z=0.02650000
          MULT= 4          ISPLIT= 8
      -3: X=0.34300000 Y=0.68500000 Z=0.97350000
      -3: X=0.34300000 Y=0.68500000 Z=0.52650000
      -3: X=0.65700000 Y=0.31500000 Z=0.47350000
Se         NPT=  781  R0=.000050000 RMT= 2.12        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.37560000 Y=0.21300000 Z=0.53030000
          MULT= 4          ISPLIT= 8
      -4: X=0.62440000 Y=0.78700000 Z=0.46970000
      -4: X=0.62440000 Y=0.78700000 Z=0.03030000
      -4: X=0.37560000 Y=0.21300000 Z=0.96970000
Se         NPT=  781  R0=.000050000 RMT= 2.12        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.73690000 Y=0.06970000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -5: X=0.26310000 Y=0.93030000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.12        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.68190000 Y=0.55450000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -6: X=0.31810000 Y=0.44550000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.35320000 Y=0.67620000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -7: X=0.64680000 Y=0.32380000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.37500000 Y=0.21080000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -8: X=0.62500000 Y=0.78920000 Z=0.75000000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.09830000 Y=0.35400000 Z=0.11820000
          MULT= 4          ISPLIT= 8
      -9: X=0.90170000 Y=0.64600000 Z=0.88180000
      -9: X=0.90170000 Y=0.64600000 Z=0.61820000
      -9: X=0.09830000 Y=0.35400000 Z=0.38180000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.04040000 Y=0.89060000 Z=0.11640000
          MULT= 4          ISPLIT= 8
     -10: X=0.95960000 Y=0.10940000 Z=0.88360000
     -10: X=0.95960000 Y=0.10940000 Z=0.61640000
     -10: X=0.04040000 Y=0.89060000 Z=0.38360000
Cl         NPT=  781  R0=.000100000 RMT= 2.07        Z:  17.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000