P   LATTICE,NONEQUIV.ATOMS   5   13 P2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.697166 12.517546 13.033441 90.000000 90.000000 98.930000                   
ATOM  -1: X=0.54300000 Y=0.15770000 Z=0.31260000
          MULT= 4          ISPLIT= 8
      -1: X=0.45700000 Y=0.84230000 Z=0.68740000
      -1: X=0.45700000 Y=0.34230000 Z=0.31260000
      -1: X=0.54300000 Y=0.65770000 Z=0.68740000
Br         NPT=  781  R0=.000050000 RMT= 1.64        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  -2: X=0.07360000 Y=0.36080000 Z=0.20240000
          MULT= 4          ISPLIT= 8
      -2: X=0.92640000 Y=0.63920000 Z=0.79760000
      -2: X=0.92640000 Y=0.13920000 Z=0.20240000
      -2: X=0.07360000 Y=0.86080000 Z=0.79760000
Br         NPT=  781  R0=.000050000 RMT= 1.64        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  -3: X=0.30710000 Y=0.25300000 Z=0.56550000
          MULT= 4          ISPLIT= 8
      -3: X=0.69290000 Y=0.74700000 Z=0.43450000
      -3: X=0.69290000 Y=0.24700000 Z=0.56550000
      -3: X=0.30710000 Y=0.75300000 Z=0.43450000
Br         NPT=  781  R0=.000050000 RMT= 1.64        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  -4: X=0.29890000 Y=0.16240000 Z=0.08930000
          MULT= 4          ISPLIT= 8
      -4: X=0.70110000 Y=0.83760000 Z=0.91070000
      -4: X=0.70110000 Y=0.33760000 Z=0.08930000
      -4: X=0.29890000 Y=0.66240000 Z=0.91070000
Se         NPT=  781  R0=.000050000 RMT= 2.48        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=0.14910000 Y=0.07080000 Z=0.36050000
          MULT= 4          ISPLIT= 8
      -5: X=0.85090000 Y=0.92920000 Z=0.63950000
      -5: X=0.85090000 Y=0.42920000 Z=0.36050000
      -5: X=0.14910000 Y=0.57080000 Z=0.63950000
Nb         NPT=  781  R0=.000010000 RMT= 2.36        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000