H   LATTICE,NONEQUIV.ATOMS   5  188 P-6c2                                      
MODE OF CALC=RELA unit=bohr                                                    
 13.027772 13.027772 19.337568 90.000000 90.000000120.000000                   
ATOM  -1: X=0.66666667 Y=0.33333333 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 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  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50000000
Sn         NPT=  781  R0=.000010000 RMT= 1.99        Z:  50.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                    -1.0000000 0.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.11033000 Y=0.37167000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.26134000 Y=0.88967000 Z=0.25000000
      -3: X=0.62833000 Y=0.88967000 Z=0.75000000
      -3: X=0.62833000 Y=0.73866000 Z=0.25000000
      -3: X=0.26134000 Y=0.37167000 Z=0.75000000
      -3: X=0.11033000 Y=0.73866000 Z=0.75000000
Ge         NPT=  781  R0=.000050000 RMT= 1.70        Z:  32.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.07533000 Y=0.60567000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -4: X=0.53034000 Y=0.92467000 Z=0.25000000
      -4: X=0.39433000 Y=0.92467000 Z=0.75000000
      -4: X=0.39433000 Y=0.46966000 Z=0.25000000
      -4: X=0.53034000 Y=0.60567000 Z=0.75000000
      -4: X=0.07533000 Y=0.46966000 Z=0.75000000
O          NPT=  781  R0=.000100000 RMT= 1.53        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  -5: X=0.24333000 Y=0.01567000 Z=0.10900000
          MULT=12          ISPLIT= 8
      -5: X=0.77234000 Y=0.75667000 Z=0.39100000
      -5: X=0.98433000 Y=0.75667000 Z=0.89100000
      -5: X=0.98433000 Y=0.22766000 Z=0.10900000
      -5: X=0.77234000 Y=0.01567000 Z=0.60900000
      -5: X=0.24333000 Y=0.01567000 Z=0.39100000
      -5: X=0.24333000 Y=0.22766000 Z=0.89100000
      -5: X=0.77234000 Y=0.75667000 Z=0.10900000
      -5: X=0.98433000 Y=0.75667000 Z=0.60900000
      -5: X=0.98433000 Y=0.22766000 Z=0.39100000
      -5: X=0.77234000 Y=0.01567000 Z=0.89100000
      -5: X=0.24333000 Y=0.22766000 Z=0.60900000
O          NPT=  781  R0=.000100000 RMT= 1.53        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000