P   LATTICE,NONEQUIV.ATOMS   7  129 P4/nmm                                     
MODE OF CALC=RELA unit=bohr                                                    
 19.420715 19.420715 13.936730 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.60720000 Z=0.15380000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.39280000 Z=0.84620000
      -1: X=0.89280000 Y=0.25000000 Z=0.15380000
      -1: X=0.10720000 Y=0.75000000 Z=0.84620000
      -1: X=0.25000000 Y=0.89280000 Z=0.15380000
      -1: X=0.75000000 Y=0.10720000 Z=0.84620000
      -1: X=0.60720000 Y=0.25000000 Z=0.15380000
      -1: X=0.39280000 Y=0.75000000 Z=0.84620000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.00000000
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     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  -3: X=0.25000000 Y=0.25000000 Z=0.07660000
          MULT= 2          ISPLIT=-2
      -3: X=0.75000000 Y=0.75000000 Z=0.92340000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.25000000 Y=0.25000000 Z=0.57810000
          MULT= 2          ISPLIT=-2
      -4: X=0.75000000 Y=0.75000000 Z=0.42190000
Ti         NPT=  781  R0=.000050000 RMT= 2.50000     Z:  22.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.08512000 Y=0.08512000 Z=0.34780000
          MULT= 8          ISPLIT= 8
      -5: X=0.91488000 Y=0.91488000 Z=0.65220000
      -5: X=0.41488000 Y=0.08512000 Z=0.34780000
      -5: X=0.58512000 Y=0.91488000 Z=0.65220000
      -5: X=0.41488000 Y=0.41488000 Z=0.34780000
      -5: X=0.58512000 Y=0.58512000 Z=0.65220000
      -5: X=0.08512000 Y=0.41488000 Z=0.34780000
      -5: X=0.91488000 Y=0.58512000 Z=0.65220000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -6: X=0.25000000 Y=0.01165000 Z=0.80940000
          MULT= 8          ISPLIT= 8
      -6: X=0.75000000 Y=0.98835000 Z=0.19060000
      -6: X=0.48835000 Y=0.25000000 Z=0.80940000
      -6: X=0.51165000 Y=0.75000000 Z=0.19060000
      -6: X=0.25000000 Y=0.48835000 Z=0.80940000
      -6: X=0.75000000 Y=0.51165000 Z=0.19060000
      -6: X=0.01165000 Y=0.25000000 Z=0.80940000
      -6: X=0.98835000 Y=0.75000000 Z=0.19060000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -7: X=0.75000000 Y=0.25000000 Z=0.50000000
          MULT= 2          ISPLIT=-2
      -7: X=0.25000000 Y=0.75000000 Z=0.50000000
Bi         NPT=  781  R0=.000005000 RMT= 2.50000     Z:  83.00000              
LOCAL ROT MATRIX:    0.7071068-0.7071068 0.0000000
                     0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000