P   LATTICE,NONEQUIV.ATOMS   5   13 P2/b                                       
MODE OF CALC=RELA unit=bohr                                                    
 23.695276 12.517357 13.041000 90.000000 90.000000 98.980000                   
ATOM  -1: X=0.14920000 Y=0.07100000 Z=0.36060000
          MULT= 4          ISPLIT= 8
      -1: X=0.85080000 Y=0.92900000 Z=0.63940000
      -1: X=0.85080000 Y=0.42900000 Z=0.36060000
      -1: X=0.14920000 Y=0.57100000 Z=0.63940000
Nb         NPT=  781  R0=.000010000 RMT= 2.37        Z:  41.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.29870000 Y=0.16250000 Z=0.08910000
          MULT= 4          ISPLIT= 8
      -2: X=0.70130000 Y=0.83750000 Z=0.91090000
      -2: X=0.70130000 Y=0.33750000 Z=0.08910000
      -2: X=0.29870000 Y=0.66250000 Z=0.91090000
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  -3: X=0.07320000 Y=0.36050000 Z=0.20240000
          MULT= 4          ISPLIT= 8
      -3: X=0.92680000 Y=0.63950000 Z=0.79760000
      -3: X=0.92680000 Y=0.13950000 Z=0.20240000
      -3: X=0.07320000 Y=0.86050000 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  -4: X=0.30730000 Y=0.25310000 Z=0.56550000
          MULT= 4          ISPLIT= 8
      -4: X=0.69270000 Y=0.74690000 Z=0.43450000
      -4: X=0.69270000 Y=0.24690000 Z=0.56550000
      -4: X=0.30730000 Y=0.75310000 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  -5: X=0.54310000 Y=0.15810000 Z=0.31260000
          MULT= 4          ISPLIT= 8
      -5: X=0.45690000 Y=0.84190000 Z=0.68740000
      -5: X=0.45690000 Y=0.34190000 Z=0.31260000
      -5: X=0.54310000 Y=0.65810000 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