P   LATTICE,NONEQUIV.ATOMS   6   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 12.334242  7.041120 25.874130 90.000000 90.000000103.040000                   
ATOM  -1: X=0.15950000 Y=0.04270000 Z=0.16510000
          MULT= 4          ISPLIT= 8
      -1: X=0.84050000 Y=0.95730000 Z=0.83490000
      -1: X=0.34050000 Y=0.45730000 Z=0.66510000
      -1: X=0.65950000 Y=0.54270000 Z=0.33490000
Y          NPT=  781  R0=.000010000 RMT= 1.71        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.20910000 Y=0.32470000 Z=0.43740000
          MULT= 4          ISPLIT= 8
      -2: X=0.79090000 Y=0.67530000 Z=0.56260000
      -2: X=0.29090000 Y=0.17530000 Z=0.93740000
      -2: X=0.70910000 Y=0.82470000 Z=0.06260000
Y          NPT=  781  R0=.000010000 RMT= 1.71        Z:  39.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.07900000 Y=0.27800000 Z=0.60800000
          MULT= 4          ISPLIT= 8
      -3: X=0.92100000 Y=0.72200000 Z=0.39200000
      -3: X=0.42100000 Y=0.22200000 Z=0.10800000
      -3: X=0.57900000 Y=0.77800000 Z=0.89200000
C          NPT=  781  R0=.000100000 RMT= 1.24        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.43900000 Y=0.61100000 Z=0.19300000
          MULT= 4          ISPLIT= 8
      -4: X=0.56100000 Y=0.38900000 Z=0.80700000
      -4: X=0.06100000 Y=0.88900000 Z=0.69300000
      -4: X=0.93900000 Y=0.11100000 Z=0.30700000
C          NPT=  781  R0=.000100000 RMT= 1.24        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.42700000 Y=0.46000000 Z=0.28100000
          MULT= 4          ISPLIT= 8
      -5: X=0.57300000 Y=0.54000000 Z=0.71900000
      -5: X=0.07300000 Y=0.04000000 Z=0.78100000
      -5: X=0.92700000 Y=0.96000000 Z=0.21900000
C          NPT=  781  R0=.000100000 RMT= 1.24        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
C          NPT=  781  R0=.000100000 RMT= 1.24        Z:   6.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000