P   LATTICE,NONEQUIV.ATOMS   5   19 P212121                                    
MODE OF CALC=RELA unit=bohr                                                    
  8.654946 10.603253 23.491186 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.22851000 Y=0.31000000 Z=0.35607000
          MULT= 4          ISPLIT= 8
      -1: X=0.27149000 Y=0.69000000 Z=0.85607000
      -1: X=0.72851000 Y=0.19000000 Z=0.64393000
      -1: X=0.77149000 Y=0.81000000 Z=0.14393000
Ba         NPT=  781  R0=.000010000 RMT= 2.46        Z:  56.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.32340000 Y=0.29720000 Z=0.07380000
          MULT= 4          ISPLIT= 8
      -2: X=0.17660000 Y=0.70280000 Z=0.57380000
      -2: X=0.82340000 Y=0.20280000 Z=0.92620000
      -2: X=0.67660000 Y=0.79720000 Z=0.42620000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.67370000 Y=0.27820000 Z=0.04320000
          MULT= 4          ISPLIT= 8
      -3: X=0.82630000 Y=0.72180000 Z=0.54320000
      -3: X=0.17370000 Y=0.22180000 Z=0.95680000
      -3: X=0.32630000 Y=0.77820000 Z=0.45680000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -4: X=0.25630000 Y=0.10820000 Z=0.16590000
          MULT= 4          ISPLIT= 8
      -4: X=0.24370000 Y=0.89180000 Z=0.66590000
      -4: X=0.75630000 Y=0.39180000 Z=0.83410000
      -4: X=0.74370000 Y=0.60820000 Z=0.33410000
O          NPT=  781  R0=.000100000 RMT= 1.60        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  -5: X=0.26110000 Y=0.56970000 Z=0.09920000
          MULT= 4          ISPLIT= 8
      -5: X=0.23890000 Y=0.43030000 Z=0.59920000
      -5: X=0.76110000 Y=0.93030000 Z=0.90080000
      -5: X=0.73890000 Y=0.06970000 Z=0.40080000
O          NPT=  781  R0=.000100000 RMT= 1.60        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000