H   LATTICE,NONEQUIV.ATOMS   6  193 P63/mcm                                    
MODE OF CALC=RELA unit=bohr                                                    
 18.422940 18.422940 31.123789 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 4          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 Z=0.75000000
      -1: X=0.66666667 Y=0.33333333 Z=0.25000000
      -1: X=0.33333333 Y=0.66666667 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  -2: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.00000000
      -2: X=0.66666666 Y=0.33333333 Z=0.50000000
      -2: X=0.33333334 Y=0.66666667 Z=0.50000000
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  -3: X=0.25220000 Y=0.00000000 Z=0.59820000
          MULT=12          ISPLIT= 8
      -3: X=0.74780000 Y=0.00000000 Z=0.40180000
      -3: X=0.25220000 Y=0.25220000 Z=0.09820000
      -3: X=0.74780000 Y=0.74780000 Z=0.90180000
      -3: X=0.00000000 Y=0.25220000 Z=0.59820000
      -3: X=0.00000000 Y=0.74780000 Z=0.40180000
      -3: X=0.74780000 Y=0.00000000 Z=0.09820000
      -3: X=0.25220000 Y=0.00000000 Z=0.90180000
      -3: X=0.74780000 Y=0.74780000 Z=0.59820000
      -3: X=0.25220000 Y=0.25220000 Z=0.40180000
      -3: X=0.00000000 Y=0.74780000 Z=0.09820000
      -3: X=0.00000000 Y=0.25220000 Z=0.90180000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.39550000 Y=0.00000000 Z=0.11680000
          MULT=12          ISPLIT= 8
      -4: X=0.60450000 Y=0.00000000 Z=0.88320000
      -4: X=0.39550000 Y=0.39550000 Z=0.61680000
      -4: X=0.60450000 Y=0.60450000 Z=0.38320000
      -4: X=0.00000000 Y=0.39550000 Z=0.11680000
      -4: X=0.00000000 Y=0.60450000 Z=0.88320000
      -4: X=0.60450000 Y=0.00000000 Z=0.61680000
      -4: X=0.39550000 Y=0.00000000 Z=0.38320000
      -4: X=0.60450000 Y=0.60450000 Z=0.11680000
      -4: X=0.39550000 Y=0.39550000 Z=0.88320000
      -4: X=0.00000000 Y=0.60450000 Z=0.61680000
      -4: X=0.00000000 Y=0.39550000 Z=0.38320000
Ge         NPT=  781  R0=.000050000 RMT= 2.46        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 0.8660254 0.5000000
                     0.0000000-0.5000000 0.8660254
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.00000000 Y=0.00000000 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -5: X=0.00000000 Y=0.00000000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 2.46        Z:  32.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.27300000 Y=0.00000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -6: X=0.72700000 Y=0.00000000 Z=0.75000000
      -6: X=0.27300000 Y=0.27300000 Z=0.75000000
      -6: X=0.72700000 Y=0.72700000 Z=0.25000000
      -6: X=0.00000000 Y=0.27300000 Z=0.25000000
      -6: X=0.00000000 Y=0.72700000 Z=0.75000000
Al         NPT=  781  R0=.000100000 RMT= 2.23        Z:  13.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000