H   LATTICE,NONEQUIV.ATOMS   3  176 P63/m                                      
MODE OF CALC=RELA unit=bohr                                                    
 17.120919 17.120919  8.106925 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.25000000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666667 Y=0.33333333 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=0.15500000 Y=0.18500000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -2: X=0.84500000 Y=0.81500000 Z=0.75000000
      -2: X=0.97000000 Y=0.15500000 Z=0.75000000
      -2: X=0.03000000 Y=0.84500000 Z=0.25000000
      -2: X=0.81500000 Y=0.97000000 Z=0.25000000
      -2: X=0.18500000 Y=0.03000000 Z=0.75000000
Mo         NPT=  781  R0=.000010000 RMT= 2.44        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.36000000 Y=0.06000000 Z=0.25000000
          MULT= 6          ISPLIT= 8
      -3: X=0.64000000 Y=0.94000000 Z=0.75000000
      -3: X=0.30000000 Y=0.36000000 Z=0.75000000
      -3: X=0.70000000 Y=0.64000000 Z=0.25000000
      -3: X=0.94000000 Y=0.30000000 Z=0.25000000
      -3: X=0.06000000 Y=0.70000000 Z=0.75000000
Se         NPT=  781  R0=.000050000 RMT= 2.44        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000