P   LATTICE,NONEQUIV.ATOMS   6  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  8.005825  8.005825 29.253905 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.25000000 Z=0.84054000
          MULT= 2          ISPLIT=-2
      -1: X=0.75000000 Y=0.75000000 Z=0.15946000
Ba         NPT=  781  R0=.000010000 RMT= 2.40        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=0.25000000 Y=0.25000000 Z=0.59274000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.40726000
Ba         NPT=  781  R0=.000010000 RMT= 2.40        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  -3: X=0.25000000 Y=0.25000000 Z=0.29319000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.70681000
In         NPT=  781  R0=.000010000 RMT= 2.10        Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.75000000 Y=0.25000000 Z=0.27020000
          MULT= 4          ISPLIT= 8
      -4: X=0.25000000 Y=0.75000000 Z=0.72980000
      -4: X=0.25000000 Y=0.75000000 Z=0.27020000
      -4: X=0.75000000 Y=0.25000000 Z=0.72980000
O          NPT=  781  R0=.000100000 RMT= 1.80        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=0.25000000 Y=0.25000000 Z=0.42737000
          MULT= 2          ISPLIT=-2
      -5: X=0.75000000 Y=0.75000000 Z=0.57263000
O          NPT=  781  R0=.000100000 RMT= 1.80        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=0.25000000 Y=0.25000000 Z=0.07550000
          MULT= 2          ISPLIT=-2
      -6: X=0.75000000 Y=0.75000000 Z=0.92450000
Br         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000