P   LATTICE,NONEQUIV.ATOMS   5  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.923167 14.923167 12.294558 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -1: X=0.25000000 Y=0.75000000 Z=0.50000000
Cs         NPT=  781  R0=.000010000 RMT= 2.50000     Z:  55.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25000000 Y=0.25000000 Z=0.44830000
          MULT= 2          ISPLIT=-2
      -2: X=0.75000000 Y=0.75000000 Z=0.55170000
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  -3: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.00000000
      -3: X=0.50000000 Y=0.50000000 Z=0.00000000
      -3: X=0.00000000 Y=0.50000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 1.81        Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.25000000 Y=0.50190000 Z=0.04700000
          MULT= 8          ISPLIT= 8
      -4: X=0.75000000 Y=0.49810000 Z=0.95300000
      -4: X=0.99810000 Y=0.25000000 Z=0.04700000
      -4: X=0.00190000 Y=0.75000000 Z=0.95300000
      -4: X=0.25000000 Y=0.99810000 Z=0.04700000
      -4: X=0.75000000 Y=0.00190000 Z=0.95300000
      -4: X=0.50190000 Y=0.25000000 Z=0.04700000
      -4: X=0.49810000 Y=0.75000000 Z=0.95300000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -5: X=0.02950000 Y=0.02950000 Z=0.71600000
          MULT= 8          ISPLIT= 8
      -5: X=0.97050000 Y=0.97050000 Z=0.28400000
      -5: X=0.47050000 Y=0.02950000 Z=0.71600000
      -5: X=0.52950000 Y=0.97050000 Z=0.28400000
      -5: X=0.47050000 Y=0.47050000 Z=0.71600000
      -5: X=0.52950000 Y=0.52950000 Z=0.28400000
      -5: X=0.02950000 Y=0.47050000 Z=0.71600000
      -5: X=0.97050000 Y=0.52950000 Z=0.28400000
F          NPT=  781  R0=.000100000 RMT= 1.72        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000