H   LATTICE,NONEQUIV.ATOMS   8  194 P63/mmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 10.924318 10.924318 37.085497 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.06720000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.93280000
      -1: X=0.66666666 Y=0.33333333 Z=0.56720000
      -1: X=0.33333334 Y=0.66666667 Z=0.43280000
In         NPT=  781  R0=.000010000 RMT= 2.14        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
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  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.75000000
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=0.33333333 Y=0.66666667 Z=0.60960000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.39040000
      -4: X=0.66666666 Y=0.33333333 Z=0.10960000
      -4: X=0.33333334 Y=0.66666667 Z=0.89040000
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  -5: X=0.00000000 Y=0.00000000 Z=0.15970000
          MULT= 4          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.84030000
      -5: X=0.00000000 Y=0.00000000 Z=0.65970000
      -5: X=0.00000000 Y=0.00000000 Z=0.34030000
Al         NPT=  781  R0=.000100000 RMT= 1.64        Z:  13.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.50000000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
      -6: X=0.00000000 Y=0.50000000 Z=0.50000000
      -6: X=0.00000000 Y=0.50000000 Z=0.00000000
      -6: X=0.50000000 Y=0.00000000 Z=0.50000000
      -6: X=0.50000000 Y=0.50000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -7: X=0.16600000 Y=0.33200000 Z=0.13300000
          MULT=12          ISPLIT= 8
      -7: X=0.83400000 Y=0.66800000 Z=0.86700000
      -7: X=0.83400000 Y=0.16600000 Z=0.63300000
      -7: X=0.16600000 Y=0.83400000 Z=0.36700000
      -7: X=0.33200000 Y=0.16600000 Z=0.63300000
      -7: X=0.66800000 Y=0.83400000 Z=0.36700000
      -7: X=0.66800000 Y=0.83400000 Z=0.13300000
      -7: X=0.33200000 Y=0.16600000 Z=0.86700000
      -7: X=0.83400000 Y=0.66800000 Z=0.63300000
      -7: X=0.16600000 Y=0.33200000 Z=0.36700000
      -7: X=0.16600000 Y=0.83400000 Z=0.13300000
      -7: X=0.83400000 Y=0.16600000 Z=0.86700000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -8: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -8: X=0.00000000 Y=0.00000000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.64        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000