P   LATTICE,NONEQUIV.ATOMS   8   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.529100 18.056333 14.237197 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27310000 Y=0.12960000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.72690000 Y=0.87040000 Z=0.00000000
      -1: X=0.22690000 Y=0.62960000 Z=0.50000000
      -1: X=0.77310000 Y=0.37040000 Z=0.50000000
In         NPT=  781  R0=.000010000 RMT= 2.08        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=0.01870000 Y=0.34900000 Z=0.25150000
          MULT= 8          ISPLIT= 8
      -2: X=0.98130000 Y=0.65100000 Z=0.74850000
      -2: X=0.01870000 Y=0.34900000 Z=0.74850000
      -2: X=0.98130000 Y=0.65100000 Z=0.25150000
      -2: X=0.48130000 Y=0.84900000 Z=0.75150000
      -2: X=0.51870000 Y=0.15100000 Z=0.24850000
      -2: X=0.48130000 Y=0.84900000 Z=0.24850000
      -2: X=0.51870000 Y=0.15100000 Z=0.75150000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.23780000 Y=0.42750000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.76220000 Y=0.57250000 Z=0.00000000
      -3: X=0.26220000 Y=0.92750000 Z=0.50000000
      -3: X=0.73780000 Y=0.07250000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.09        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.23150000 Y=0.76430000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.76850000 Y=0.23570000 Z=0.00000000
      -4: X=0.26850000 Y=0.26430000 Z=0.50000000
      -4: X=0.73150000 Y=0.73570000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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=0.00000000 Y=0.00000000 Z=0.25480000
          MULT= 4          ISPLIT= 8
      -5: X=0.00000000 Y=0.00000000 Z=0.74520000
      -5: X=0.50000000 Y=0.50000000 Z=0.75480000
      -5: X=0.50000000 Y=0.50000000 Z=0.24520000
K          NPT=  781  R0=.000050000 RMT= 2.50000     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  -6: X=0.07070000 Y=0.22240000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.92930000 Y=0.77760000 Z=0.00000000
      -6: X=0.42930000 Y=0.72240000 Z=0.50000000
      -6: X=0.57070000 Y=0.27760000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.29960000 Y=0.01860000 Z=0.23160000
          MULT= 8          ISPLIT= 8
      -7: X=0.70040000 Y=0.98140000 Z=0.76840000
      -7: X=0.29960000 Y=0.01860000 Z=0.76840000
      -7: X=0.70040000 Y=0.98140000 Z=0.23160000
      -7: X=0.20040000 Y=0.51860000 Z=0.73160000
      -7: X=0.79960000 Y=0.48140000 Z=0.26840000
      -7: X=0.20040000 Y=0.51860000 Z=0.26840000
      -7: X=0.79960000 Y=0.48140000 Z=0.73160000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.44000000 Y=0.27800000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.56000000 Y=0.72200000 Z=0.00000000
      -8: X=0.06000000 Y=0.77800000 Z=0.50000000
      -8: X=0.94000000 Y=0.22200000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.79        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000