ScNn-1.208                                                                     
H   LATTICE,NONEQUIV.ATOMS: 16 156 P3m1                                        
             RELA                                                              
  7.050000  7.050000 68.131200 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
N 1        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333334 Y=0.66666666 Z=0.06250000
          MULT= 1          ISPLIT= 4
N 2        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
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=0.06250000
          MULT= 1          ISPLIT= 4
Sc2        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.12500000
          MULT= 1          ISPLIT= 4
N 3        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.33333334 Y=0.66666666 Z=0.12500000
          MULT= 1          ISPLIT= 4
Sc3        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33333334 Y=0.66666666 Z=0.18750000
          MULT= 1          ISPLIT= 4
N 4        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
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=0.18750000
          MULT= 1          ISPLIT= 4
Sc4        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 1          ISPLIT= 4
N 5        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -9: X=0.33333334 Y=0.66666666 Z=0.25000000
          MULT= 1          ISPLIT= 4
Sc5        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -10: X=0.33333334 Y=0.66666666 Z=0.31250000
          MULT= 1          ISPLIT= 4
N 6        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -11: X=0.00000000 Y=0.00000000 Z=0.31250000
          MULT= 1          ISPLIT= 4
Sc6        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -12: X=0.00000000 Y=0.00000000 Z=0.37500000
          MULT= 1          ISPLIT= 4
N 7        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -13: X=0.33333334 Y=0.66666666 Z=0.37500000
          MULT= 1          ISPLIT= 4
Sc7        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -14: X=0.33333334 Y=0.66666666 Z=0.43750000
          MULT= 1          ISPLIT= 4
N 8        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -15: X=0.00000000 Y=0.00000000 Z=0.43750000
          MULT= 1          ISPLIT= 4
Sc8        NPT=  781  R0=.000020000 RMT=   2.20000   Z:  21.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM -16: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 1          ISPLIT= 4
N 9        NPT=  781  R0=.000020000 RMT=   1.50000   Z:   7.                   
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
   6      NUMBER OF SYMMETRY OPERATIONS
 1 0 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       1
 0-1 0 0.0000000
 1-1 0 0.0000000
 0 0 1 0.0000000
       2
-1 1 0 0.0000000
-1 0 0 0.0000000
 0 0 1 0.0000000
       3
 0-1 0 0.0000000
-1 0 0 0.0000000
 0 0 1 0.0000000
       4
-1 1 0 0.0000000
 0 1 0 0.0000000
 0 0 1 0.0000000
       5
 1 0 0 0.0000000
 1-1 0 0.0000000
 0 0 1 0.0000000
       6
