B   LATTICE,NONEQUIV.ATOMS   5   97 I422                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.010980 18.010980 24.233848 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.00000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     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  -2: X=0.00000000 Y=0.50000000 Z=0.25000000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.25000000
Ta         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  73.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.00000000 Z=0.15530000
          MULT= 2          ISPLIT=-2
      -3: X=0.00000000 Y=0.00000000 Z=0.84470000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.31200000 Y=0.12120000 Z=0.11910000
          MULT= 8          ISPLIT= 8
      -4: X=0.87880000 Y=0.31200000 Z=0.11910000
      -4: X=0.31200000 Y=0.87880000 Z=0.88090000
      -4: X=0.68800000 Y=0.87880000 Z=0.11910000
      -4: X=0.12120000 Y=0.31200000 Z=0.88090000
      -4: X=0.12120000 Y=0.68800000 Z=0.11910000
      -4: X=0.68800000 Y=0.12120000 Z=0.88090000
      -4: X=0.87880000 Y=0.68800000 Z=0.88090000
Se         NPT=  781  R0=.000050000 RMT= 2.26        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.04490000 Y=0.28400000 Z=0.36930000
          MULT= 8          ISPLIT= 8
      -5: X=0.71600000 Y=0.04490000 Z=0.36930000
      -5: X=0.04490000 Y=0.71600000 Z=0.63070000
      -5: X=0.95510000 Y=0.71600000 Z=0.36930000
      -5: X=0.28400000 Y=0.04490000 Z=0.63070000
      -5: X=0.28400000 Y=0.95510000 Z=0.36930000
      -5: X=0.95510000 Y=0.28400000 Z=0.63070000
      -5: X=0.71600000 Y=0.95510000 Z=0.63070000
Se         NPT=  781  R0=.000050000 RMT= 2.26        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000