P   LATTICE,NONEQUIV.ATOMS   7  128 P4/mnc                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.947734 14.947734 22.455616 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
      -1: X=0.50000000 Y=0.00000000 Z=0.50000000
      -1: X=0.00000000 Y=0.50000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.01        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.01        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.21210000 Y=0.71210000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.78790000 Y=0.28790000 Z=0.75000000
      -3: X=0.28790000 Y=0.21210000 Z=0.25000000
      -3: X=0.71210000 Y=0.78790000 Z=0.75000000
      -3: X=0.28790000 Y=0.21210000 Z=0.75000000
      -3: X=0.71210000 Y=0.78790000 Z=0.25000000
      -3: X=0.78790000 Y=0.28790000 Z=0.25000000
      -3: X=0.21210000 Y=0.71210000 Z=0.75000000
K          NPT=  781  R0=.000050000 RMT= 2.38        Z:  19.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068 0.7071068
                     0.0000000-0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.00000000
K          NPT=  781  R0=.000050000 RMT= 2.38        Z:  19.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.24850000 Y=0.08690000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -5: X=0.75150000 Y=0.91310000 Z=0.00000000
      -5: X=0.91310000 Y=0.24850000 Z=0.00000000
      -5: X=0.08690000 Y=0.75150000 Z=0.00000000
      -5: X=0.25150000 Y=0.58690000 Z=0.50000000
      -5: X=0.74850000 Y=0.41310000 Z=0.50000000
      -5: X=0.41310000 Y=0.25150000 Z=0.50000000
      -5: X=0.58690000 Y=0.74850000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.81        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.17800000 Y=0.45160000 Z=0.11920000
          MULT=16          ISPLIT= 8
      -6: X=0.82200000 Y=0.54840000 Z=0.88080000
      -6: X=0.54840000 Y=0.17800000 Z=0.11920000
      -6: X=0.45160000 Y=0.82200000 Z=0.88080000
      -6: X=0.32200000 Y=0.95160000 Z=0.61920000
      -6: X=0.67800000 Y=0.04840000 Z=0.38080000
      -6: X=0.82200000 Y=0.54840000 Z=0.11920000
      -6: X=0.17800000 Y=0.45160000 Z=0.88080000
      -6: X=0.04840000 Y=0.32200000 Z=0.61920000
      -6: X=0.95160000 Y=0.67800000 Z=0.38080000
      -6: X=0.45160000 Y=0.82200000 Z=0.11920000
      -6: X=0.54840000 Y=0.17800000 Z=0.88080000
      -6: X=0.67800000 Y=0.04840000 Z=0.61920000
      -6: X=0.32200000 Y=0.95160000 Z=0.38080000
      -6: X=0.95160000 Y=0.67800000 Z=0.61920000
      -6: X=0.04840000 Y=0.32200000 Z=0.38080000
F          NPT=  781  R0=.000100000 RMT= 1.81        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.00000000 Y=0.00000000 Z=0.17290000
          MULT= 4          ISPLIT=-2
      -7: X=0.00000000 Y=0.00000000 Z=0.82710000
      -7: X=0.50000000 Y=0.50000000 Z=0.67290000
      -7: X=0.50000000 Y=0.50000000 Z=0.32710000
F          NPT=  781  R0=.000100000 RMT= 1.81        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000