P   LATTICE,NONEQUIV.ATOMS   8   58 Pnnm                                       
MODE OF CALC=RELA unit=bohr                                                    
 17.952398 18.351130 14.095467 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.27550000 Y=0.12860000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.72450000 Y=0.87140000 Z=0.00000000
      -1: X=0.22450000 Y=0.62860000 Z=0.50000000
      -1: X=0.77550000 Y=0.37140000 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=0.23280000 Y=0.76030000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.76720000 Y=0.23970000 Z=0.00000000
      -2: X=0.26720000 Y=0.26030000 Z=0.50000000
      -2: X=0.73280000 Y=0.73970000 Z=0.50000000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.25420000
          MULT= 4          ISPLIT= 8
      -3: X=0.00000000 Y=0.00000000 Z=0.74580000
      -3: X=0.50000000 Y=0.50000000 Z=0.75420000
      -3: X=0.50000000 Y=0.50000000 Z=0.24580000
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.01970000 Y=0.35160000 Z=0.25130000
          MULT= 8          ISPLIT= 8
      -4: X=0.98030000 Y=0.64840000 Z=0.74870000
      -4: X=0.01970000 Y=0.35160000 Z=0.74870000
      -4: X=0.98030000 Y=0.64840000 Z=0.25130000
      -4: X=0.48030000 Y=0.85160000 Z=0.75130000
      -4: X=0.51970000 Y=0.14840000 Z=0.24870000
      -4: X=0.48030000 Y=0.85160000 Z=0.24870000
      -4: X=0.51970000 Y=0.14840000 Z=0.75130000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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  -5: X=0.23740000 Y=0.42250000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.76260000 Y=0.57750000 Z=0.00000000
      -5: X=0.26260000 Y=0.92250000 Z=0.50000000
      -5: X=0.73740000 Y=0.07750000 Z=0.50000000
Na         NPT=  781  R0=.000100000 RMT= 2.10        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  -6: X=0.07850000 Y=0.22290000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -6: X=0.92150000 Y=0.77710000 Z=0.00000000
      -6: X=0.42150000 Y=0.72290000 Z=0.50000000
      -6: X=0.57850000 Y=0.27710000 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=0.30480000 Y=0.01790000 Z=0.23240000
          MULT= 8          ISPLIT= 8
      -7: X=0.69520000 Y=0.98210000 Z=0.76760000
      -7: X=0.30480000 Y=0.01790000 Z=0.76760000
      -7: X=0.69520000 Y=0.98210000 Z=0.23240000
      -7: X=0.19520000 Y=0.51790000 Z=0.73240000
      -7: X=0.80480000 Y=0.48210000 Z=0.26760000
      -7: X=0.19520000 Y=0.51790000 Z=0.26760000
      -7: X=0.80480000 Y=0.48210000 Z=0.73240000
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=0.43700000 Y=0.27690000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -8: X=0.56300000 Y=0.72310000 Z=0.00000000
      -8: X=0.06300000 Y=0.77690000 Z=0.50000000
      -8: X=0.93700000 Y=0.22310000 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