B   LATTICE,NONEQUIV.ATOMS   4   87 I4/m                                       
MODE OF CALC=RELA unit=bohr                                                    
 26.357900 26.357900 11.127085 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
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=0.39148000 Y=0.31691000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.60852000 Y=0.68309000 Z=0.00000000
      -2: X=0.68309000 Y=0.39148000 Z=0.00000000
      -2: X=0.31691000 Y=0.60852000 Z=0.00000000
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  -3: X=0.10829000 Y=0.37798000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.89171000 Y=0.62202000 Z=0.00000000
      -3: X=0.62202000 Y=0.10829000 Z=0.00000000
      -3: X=0.37798000 Y=0.89171000 Z=0.00000000
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  -4: X=0.23709000 Y=0.09956000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.76291000 Y=0.90044000 Z=0.00000000
      -4: X=0.90044000 Y=0.23709000 Z=0.00000000
      -4: X=0.09956000 Y=0.76291000 Z=0.00000000
In         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  49.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000