H   LATTICE,NONEQUIV.ATOMS   6  189 P-62m                                      
MODE OF CALC=RELA unit=bohr                                                    
 16.511860 16.511860  7.448734 90.000000 90.000000120.000000                   
ATOM  -1: X=0.60021000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -1: X=0.39979000 Y=0.39979000 Z=0.50000000
      -1: X=0.00000000 Y=0.60021000 Z=0.50000000
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=0.23664000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -2: X=0.76336000 Y=0.76336000 Z=0.00000000
      -2: X=0.00000000 Y=0.23664000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.87        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.33333333 Y=0.66666667 Z=0.00000000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666667 Y=0.33333333 Z=0.00000000
B          NPT=  781  R0=.000100000 RMT= 1.18        Z:   5.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.26060000 Y=0.00000000 Z=0.50000000
          MULT= 3          ISPLIT= 8
      -4: X=0.73940000 Y=0.73940000 Z=0.50000000
      -4: X=0.00000000 Y=0.26060000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.81030000 Y=0.00000000 Z=0.00000000
          MULT= 3          ISPLIT= 8
      -5: X=0.18970000 Y=0.18970000 Z=0.00000000
      -5: X=0.00000000 Y=0.81030000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000 0.8660254-0.5000000
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.18360000 Y=0.50580000 Z=0.00000000
          MULT= 6          ISPLIT= 8
      -6: X=0.32220000 Y=0.81640000 Z=0.00000000
      -6: X=0.50580000 Y=0.18360000 Z=0.00000000
      -6: X=0.49420000 Y=0.67780000 Z=0.00000000
      -6: X=0.67780000 Y=0.49420000 Z=0.00000000
      -6: X=0.81640000 Y=0.32220000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.37        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000