H   LATTICE,NONEQUIV.ATOMS   7  173 P63                                        
MODE OF CALC=RELA unit=bohr                                                    
 24.141251 24.141251 11.988423 90.000000 90.000000120.000000                   
ATOM  -1: X=0.36100000 Y=0.00040000 Z=0.02300000
          MULT= 6          ISPLIT= 8
      -1: X=0.36060000 Y=0.36100000 Z=0.52300000
      -1: X=0.99960000 Y=0.36060000 Z=0.02300000
      -1: X=0.63900000 Y=0.99960000 Z=0.52300000
      -1: X=0.63940000 Y=0.63900000 Z=0.02300000
      -1: X=0.00040000 Y=0.63940000 Z=0.52300000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.00000000 Z=0.00400000
          MULT= 2          ISPLIT= 4
      -2: X=0.00000000 Y=0.00000000 Z=0.50400000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        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  -3: X=0.33333333 Y=0.66666667 Z=0.26600000
          MULT= 2          ISPLIT= 4
      -3: X=0.66666666 Y=0.33333333 Z=0.76600000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        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=0.33333333 Y=0.66666667 Z=0.76700000
          MULT= 2          ISPLIT= 4
      -4: X=0.66666666 Y=0.33333333 Z=0.26700000
Ti         NPT=  781  R0=.000050000 RMT= 2.41        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=0.09490000 Y=0.18940000 Z=0.27120000
          MULT= 6          ISPLIT= 8
      -5: X=0.90550000 Y=0.09490000 Z=0.77120000
      -5: X=0.81060000 Y=0.90550000 Z=0.27120000
      -5: X=0.90510000 Y=0.81060000 Z=0.77120000
      -5: X=0.09450000 Y=0.90510000 Z=0.27120000
      -5: X=0.18940000 Y=0.09450000 Z=0.77120000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.32850000 Y=0.49700000 Z=0.01500000
          MULT= 6          ISPLIT= 8
      -6: X=0.83150000 Y=0.32850000 Z=0.51500000
      -6: X=0.50300000 Y=0.83150000 Z=0.01500000
      -6: X=0.67150000 Y=0.50300000 Z=0.51500000
      -6: X=0.16850000 Y=0.67150000 Z=0.01500000
      -6: X=0.49700000 Y=0.16850000 Z=0.51500000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -7: X=0.49690000 Y=0.32880000 Z=0.03100000
          MULT= 6          ISPLIT= 8
      -7: X=0.16810000 Y=0.49690000 Z=0.53100000
      -7: X=0.67120000 Y=0.16810000 Z=0.03100000
      -7: X=0.50310000 Y=0.67120000 Z=0.53100000
      -7: X=0.83190000 Y=0.50310000 Z=0.03100000
      -7: X=0.32880000 Y=0.83190000 Z=0.53100000
Br         NPT=  781  R0=.000050000 RMT= 2.41        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000