P   LATTICE,NONEQUIV.ATOMS   8  123 P4/mmm                                     
MODE OF CALC=RELA unit=bohr                                                    
  7.303792  7.303792 28.412032 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.50000000 Y=0.50000000 Z=0.50000000
          MULT= 1          ISPLIT=-2
Rb         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  37.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.50000000 Y=0.50000000 Z=0.14600000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.85400000
Ca         NPT=  781  R0=.000050000 RMT= 2.48        Z:  20.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT=-2
Ta         NPT=  781  R0=.000005000 RMT= 1.85        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.28330000
          MULT= 2          ISPLIT=-2
      -4: X=0.00000000 Y=0.00000000 Z=0.71670000
Ta         NPT=  781  R0=.000005000 RMT= 1.85        Z:  73.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -5: X=0.50000000 Y=0.00000000 Z=0.00000000
O          NPT=  781  R0=.000100000 RMT= 1.59        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=0.00000000 Y=0.00000000 Z=0.12300000
          MULT= 2          ISPLIT=-2
      -6: X=0.00000000 Y=0.00000000 Z=0.87700000
O          NPT=  781  R0=.000100000 RMT= 1.59        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  -7: X=0.00000000 Y=0.50000000 Z=0.26600000
          MULT= 4          ISPLIT= 8
      -7: X=0.00000000 Y=0.50000000 Z=0.73400000
      -7: X=0.50000000 Y=0.00000000 Z=0.26600000
      -7: X=0.50000000 Y=0.00000000 Z=0.73400000
O          NPT=  781  R0=.000100000 RMT= 1.59        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  -8: X=0.00000000 Y=0.00000000 Z=0.40500000
          MULT= 2          ISPLIT=-2
      -8: X=0.00000000 Y=0.00000000 Z=0.59500000
O          NPT=  781  R0=.000100000 RMT= 1.59        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000