P   LATTICE,NONEQUIV.ATOMS   7   14 P21/n                                      
MODE OF CALC=RELA unit=bohr                                                    
 20.191535 13.547447 23.067887 90.000000 90.000000127.876000                   
ATOM  -1: X=0.04960000 Y=0.33010000 Z=0.15290000
          MULT= 4          ISPLIT= 8
      -1: X=0.95040000 Y=0.66990000 Z=0.84710000
      -1: X=0.45040000 Y=0.16990000 Z=0.65290000
      -1: X=0.54960000 Y=0.83010000 Z=0.34710000
Sb         NPT=  781  R0=.000010000 RMT= 1.62        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.34990000 Y=0.59760000 Z=0.36000000
          MULT= 4          ISPLIT= 8
      -2: X=0.65010000 Y=0.40240000 Z=0.64000000
      -2: X=0.15010000 Y=0.90240000 Z=0.86000000
      -2: X=0.84990000 Y=0.09760000 Z=0.14000000
Sb         NPT=  781  R0=.000010000 RMT= 1.62        Z:  51.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.35350000 Y=0.14140000 Z=0.06140000
          MULT= 4          ISPLIT= 8
      -3: X=0.64650000 Y=0.85860000 Z=0.93860000
      -3: X=0.14650000 Y=0.35860000 Z=0.56140000
      -3: X=0.85350000 Y=0.64140000 Z=0.43860000
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=0.17620000 Y=0.68560000 Z=0.30140000
          MULT= 4          ISPLIT= 8
      -4: X=0.82380000 Y=0.31440000 Z=0.69860000
      -4: X=0.32380000 Y=0.81440000 Z=0.80140000
      -4: X=0.67620000 Y=0.18560000 Z=0.19860000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
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=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.50000000 Z=0.50000000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.15480000 Y=0.18380000 Z=0.26780000
          MULT= 4          ISPLIT= 8
      -6: X=0.84520000 Y=0.81620000 Z=0.73220000
      -6: X=0.34520000 Y=0.31620000 Z=0.76780000
      -6: X=0.65480000 Y=0.68380000 Z=0.23220000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.27400000 Y=0.61210000 Z=0.03490000
          MULT= 4          ISPLIT= 8
      -7: X=0.72600000 Y=0.38790000 Z=0.96510000
      -7: X=0.22600000 Y=0.88790000 Z=0.53490000
      -7: X=0.77400000 Y=0.11210000 Z=0.46510000
S          NPT=  781  R0=.000100000 RMT= 2.03        Z:  16.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000