H   LATTICE,NONEQUIV.ATOMS   7  150 P321                                       
MODE OF CALC=RELA unit=bohr                                                    
 16.084215 16.084215  9.815804 90.000000 90.000000120.000000                   
ATOM  -1: X=0.56832000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -1: X=0.00000000 Y=0.56832000 Z=0.00000000
      -1: X=0.43168000 Y=0.43168000 Z=0.00000000
Ba         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  56.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 4
Nb         NPT=  781  R0=.000010000 RMT= 1.95        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  -3: X=0.25510000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -3: X=0.00000000 Y=0.25510000 Z=0.50000000
      -3: X=0.74490000 Y=0.74490000 Z=0.50000000
Ga         NPT=  781  R0=.000050000 RMT= 1.80        Z:  31.00000              
LOCAL ROT MATRIX:    0.0000000-0.5000000 0.8660254
                     0.0000000-0.8660254-0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.33333333 Y=0.66666667 Z=0.52010000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666667 Y=0.33333333 Z=0.47990000
Si         NPT=  781  R0=.000100000 RMT= 1.42        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=0.33333333 Y=0.66666667 Z=0.20500000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666667 Y=0.33333333 Z=0.79500000
O          NPT=  781  R0=.000100000 RMT= 1.63        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=0.47500000 Y=0.17640000 Z=0.35400000
          MULT= 6          ISPLIT= 8
      -6: X=0.82360000 Y=0.29860000 Z=0.35400000
      -6: X=0.17640000 Y=0.47500000 Z=0.64600000
      -6: X=0.70140000 Y=0.52500000 Z=0.35400000
      -6: X=0.52500000 Y=0.70140000 Z=0.64600000
      -6: X=0.29860000 Y=0.82360000 Z=0.64600000
O          NPT=  781  R0=.000100000 RMT= 1.63        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  -7: X=0.10990000 Y=0.21690000 Z=0.22500000
          MULT= 6          ISPLIT= 8
      -7: X=0.78310000 Y=0.89300000 Z=0.22500000
      -7: X=0.21690000 Y=0.10990000 Z=0.77500000
      -7: X=0.10700000 Y=0.89010000 Z=0.22500000
      -7: X=0.89010000 Y=0.10700000 Z=0.77500000
      -7: X=0.89300000 Y=0.78310000 Z=0.77500000
O          NPT=  781  R0=.000100000 RMT= 1.63        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000