P   LATTICE,NONEQUIV.ATOMS   4  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
 21.986019 21.986019  7.469332 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.12480000 Y=0.62480000 Z=0.70000000
          MULT= 4          ISPLIT= 8
      -1: X=0.62480000 Y=0.87520000 Z=0.30000000
      -1: X=0.87520000 Y=0.37520000 Z=0.70000000
      -1: X=0.37520000 Y=0.12480000 Z=0.30000000
Nb         NPT=  781  R0=.000010000 RMT= 1.72        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.12460000 Y=0.62460000 Z=0.25900000
          MULT= 4          ISPLIT= 8
      -2: X=0.62460000 Y=0.87540000 Z=0.74100000
      -2: X=0.87540000 Y=0.37540000 Z=0.25900000
      -2: X=0.37540000 Y=0.12460000 Z=0.74100000
O          NPT=  781  R0=.000100000 RMT= 1.56        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.60350000 Y=0.10350000 Z=0.25700000
          MULT= 4          ISPLIT= 8
      -3: X=0.10350000 Y=0.39650000 Z=0.74300000
      -3: X=0.39650000 Y=0.89650000 Z=0.25700000
      -3: X=0.89650000 Y=0.60350000 Z=0.74300000
Br         NPT=  781  R0=.000050000 RMT= 2.31        Z:  35.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.16570000 Y=0.10670000 Z=0.24700000
          MULT= 8          ISPLIT= 8
      -4: X=0.10670000 Y=0.83430000 Z=0.75300000
      -4: X=0.66570000 Y=0.39330000 Z=0.75300000
      -4: X=0.83430000 Y=0.89330000 Z=0.24700000
      -4: X=0.39330000 Y=0.33430000 Z=0.24700000
      -4: X=0.89330000 Y=0.16570000 Z=0.75300000
      -4: X=0.33430000 Y=0.60670000 Z=0.75300000
      -4: X=0.60670000 Y=0.66570000 Z=0.24700000
Br         NPT=  781  R0=.000050000 RMT= 2.31        Z:  35.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000