H   LATTICE,NONEQUIV.ATOMS   4  182 P6322                                      
MODE OF CALC=RELA unit=bohr                                                    
  9.877599  9.877599 16.633369 90.000000 90.000000120.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.00000000 Y=0.00000000 Z=0.75000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.33333333 Y=0.66666667 Z=0.05100000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666666 Y=0.33333333 Z=0.55100000
      -2: X=0.33333333 Y=0.66666667 Z=0.44900000
      -2: X=0.66666666 Y=0.33333333 Z=0.94900000
Al         NPT=  781  R0=.000100000 RMT= 1.65        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  -3: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.34300000 Y=0.00000000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -4: X=0.34300000 Y=0.34300000 Z=0.50000000
      -4: X=0.00000000 Y=0.65700000 Z=0.50000000
      -4: X=0.00000000 Y=0.34300000 Z=0.00000000
      -4: X=0.65700000 Y=0.00000000 Z=0.50000000
      -4: X=0.65700000 Y=0.65700000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.65        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000