P   LATTICE,NONEQUIV.ATOMS   6  127 P4/mbm                                     
MODE OF CALC=RELA unit=bohr                                                    
 16.011650 16.011650 11.929841 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -1: X=0.50000000 Y=0.50000000 Z=0.00000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.19500000 Y=0.69500000 Z=0.50000000
          MULT= 4          ISPLIT= 8
      -2: X=0.80500000 Y=0.30500000 Z=0.50000000
      -2: X=0.30500000 Y=0.19500000 Z=0.50000000
      -2: X=0.69500000 Y=0.80500000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.85        Z:  22.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.00000000 Y=0.00000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -4: X=0.50000000 Y=0.50000000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.16020000 Y=0.66020000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -5: X=0.83980000 Y=0.33980000 Z=0.00000000
      -5: X=0.33980000 Y=0.16020000 Z=0.00000000
      -5: X=0.66020000 Y=0.83980000 Z=0.00000000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.61330000 Y=0.11330000 Z=0.21510000
          MULT= 8          ISPLIT= 8
      -6: X=0.38670000 Y=0.88670000 Z=0.78490000
      -6: X=0.88670000 Y=0.61330000 Z=0.21510000
      -6: X=0.11330000 Y=0.38670000 Z=0.78490000
      -6: X=0.38670000 Y=0.88670000 Z=0.21510000
      -6: X=0.61330000 Y=0.11330000 Z=0.78490000
      -6: X=0.11330000 Y=0.38670000 Z=0.21510000
      -6: X=0.88670000 Y=0.61330000 Z=0.78490000
F          NPT=  781  R0=.000100000 RMT= 1.76        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000