H   LATTICE,NONEQUIV.ATOMS   6  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 11.149762 11.149762 27.988734 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= 2.21        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=0.59600000
          MULT= 4          ISPLIT= 4
      -2: X=0.66666667 Y=0.33333333 Z=0.40400000
      -2: X=0.66666666 Y=0.33333333 Z=0.09600000
      -2: X=0.33333334 Y=0.66666667 Z=0.90400000
Ba         NPT=  781  R0=.000010000 RMT= 2.21        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.00000000 Y=0.00000000 Z=0.50000000
Ba         NPT=  781  R0=.000010000 RMT= 2.21        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=0.18400000
          MULT= 4          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.81600000
      -4: X=0.66666666 Y=0.33333333 Z=0.68400000
      -4: X=0.33333334 Y=0.66666667 Z=0.31600000
Nb         NPT=  781  R0=.000010000 RMT= 1.77        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04240000 Y=0.48230000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -5: X=0.95760000 Y=0.51770000 Z=0.75000000
      -5: X=0.56010000 Y=0.04240000 Z=0.75000000
      -5: X=0.43990000 Y=0.95760000 Z=0.25000000
      -5: X=0.51770000 Y=0.56010000 Z=0.25000000
      -5: X=0.48230000 Y=0.43990000 Z=0.75000000
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  -6: X=0.24090000 Y=0.35690000 Z=0.09690000
          MULT=12          ISPLIT= 8
      -6: X=0.75910000 Y=0.64310000 Z=0.90310000
      -6: X=0.88400000 Y=0.24090000 Z=0.59690000
      -6: X=0.11600000 Y=0.75910000 Z=0.40310000
      -6: X=0.64310000 Y=0.88400000 Z=0.09690000
      -6: X=0.35690000 Y=0.11600000 Z=0.90310000
      -6: X=0.75910000 Y=0.64310000 Z=0.59690000
      -6: X=0.24090000 Y=0.35690000 Z=0.40310000
      -6: X=0.11600000 Y=0.75910000 Z=0.09690000
      -6: X=0.88400000 Y=0.24090000 Z=0.90310000
      -6: X=0.35690000 Y=0.11600000 Z=0.59690000
      -6: X=0.64310000 Y=0.88400000 Z=0.40310000
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