H   LATTICE,NONEQUIV.ATOMS   5  186 P63mc                                      
MODE OF CALC=RELA unit=bohr                                                    
 18.822617 18.822617 14.254582 90.000000 90.000000120.000000                   
ATOM  -1: X=0.33333333 Y=0.66666667 Z=0.43309000
          MULT= 2          ISPLIT= 4
      -1: X=0.66666666 Y=0.33333333 Z=0.93309000
Ba         NPT=  781  R0=.000010000 RMT= 2.35        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=0.19508000 Y=0.80492000 Z=0.00029000
          MULT= 6          ISPLIT= 8
      -2: X=0.39016000 Y=0.19508000 Z=0.50029000
      -2: X=0.80492000 Y=0.19508000 Z=0.50029000
      -2: X=0.19508000 Y=0.39016000 Z=0.00029000
      -2: X=0.60984000 Y=0.80492000 Z=0.00029000
      -2: X=0.80492000 Y=0.60984000 Z=0.50029000
Ba         NPT=  781  R0=.000010000 RMT= 2.35        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  -3: X=0.14372000 Y=0.85628000 Z=0.39950000
          MULT= 6          ISPLIT= 8
      -3: X=0.28744000 Y=0.14372000 Z=0.89950000
      -3: X=0.85628000 Y=0.14372000 Z=0.89950000
      -3: X=0.14372000 Y=0.28744000 Z=0.39950000
      -3: X=0.71256000 Y=0.85628000 Z=0.39950000
      -3: X=0.85628000 Y=0.71256000 Z=0.89950000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.52925000 Y=0.47075000 Z=0.21470000
          MULT= 6          ISPLIT= 8
      -4: X=0.05850000 Y=0.52925000 Z=0.71470000
      -4: X=0.47075000 Y=0.52925000 Z=0.71470000
      -4: X=0.52925000 Y=0.05850000 Z=0.21470000
      -4: X=0.94150000 Y=0.47075000 Z=0.21470000
      -4: X=0.47075000 Y=0.94150000 Z=0.71470000
Cl         NPT=  781  R0=.000100000 RMT= 2.50000     Z:  17.00000              
LOCAL ROT MATRIX:    0.0000000 0.5000000 0.8660254
                     0.0000000-0.8660254 0.5000000
                     1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.33333333 Y=0.66666667 Z=0.10040000
          MULT= 2          ISPLIT= 4
      -5: X=0.66666666 Y=0.33333333 Z=0.60040000
O          NPT=  781  R0=.000100000 RMT= 2.35        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000