P   LATTICE,NONEQUIV.ATOMS   5  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 15.924722 15.924722 22.550102 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.34800000 Y=0.65200000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.65200000 Y=0.34800000 Z=0.00000000
      -1: X=0.84800000 Y=0.84800000 Z=0.50000000
      -1: X=0.15200000 Y=0.15200000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.7071068-0.7071068
                     0.0000000 0.7071068 0.7071068
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.18600000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.81400000
      -2: X=0.50000000 Y=0.50000000 Z=0.68600000
      -2: X=0.50000000 Y=0.50000000 Z=0.31400000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     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  -4: X=0.07300000 Y=0.31300000 Z=0.00000000
          MULT= 8          ISPLIT= 8
      -4: X=0.92700000 Y=0.68700000 Z=0.00000000
      -4: X=0.18700000 Y=0.57300000 Z=0.50000000
      -4: X=0.81300000 Y=0.42700000 Z=0.50000000
      -4: X=0.42700000 Y=0.81300000 Z=0.50000000
      -4: X=0.57300000 Y=0.18700000 Z=0.50000000
      -4: X=0.68700000 Y=0.92700000 Z=0.00000000
      -4: X=0.31300000 Y=0.07300000 Z=0.00000000
Si         NPT=  781  R0=.000100000 RMT= 2.21        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  -5: X=0.29100000 Y=0.29100000 Z=0.12200000
          MULT= 8          ISPLIT= 8
      -5: X=0.70900000 Y=0.70900000 Z=0.87800000
      -5: X=0.20900000 Y=0.79100000 Z=0.62200000
      -5: X=0.79100000 Y=0.20900000 Z=0.37800000
      -5: X=0.70900000 Y=0.70900000 Z=0.12200000
      -5: X=0.29100000 Y=0.29100000 Z=0.87800000
      -5: X=0.79100000 Y=0.20900000 Z=0.62200000
      -5: X=0.20900000 Y=0.79100000 Z=0.37800000
Si         NPT=  781  R0=.000100000 RMT= 2.21        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000