P   LATTICE,NONEQUIV.ATOMS   6  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
  8.847320  8.847320 17.527966 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.50000000 Z=0.41800000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.00000000 Z=0.58200000
Li         NPT=  781  R0=.000100000 RMT= 1.69        Z:   3.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.00000000 Y=0.50000000 Z=0.08700000
          MULT= 2          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.91300000
Nb         NPT=  781  R0=.000010000 RMT= 1.88        Z:  41.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.00000000 Y=0.50000000 Z=0.72600000
          MULT= 2          ISPLIT= 8
      -3: X=0.50000000 Y=0.00000000 Z=0.27400000
W          NPT=  781  R0=.000005000 RMT= 1.75        Z:  74.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.70900000 Y=0.20900000 Z=0.77120000
          MULT= 4          ISPLIT= 8
      -4: X=0.20900000 Y=0.29100000 Z=0.22880000
      -4: X=0.29100000 Y=0.79100000 Z=0.77120000
      -4: X=0.79100000 Y=0.70900000 Z=0.22880000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -5: X=0.69680000 Y=0.19680000 Z=0.08090000
          MULT= 4          ISPLIT= 8
      -5: X=0.19680000 Y=0.30320000 Z=0.91910000
      -5: X=0.30320000 Y=0.80320000 Z=0.08090000
      -5: X=0.80320000 Y=0.69680000 Z=0.91910000
O          NPT=  781  R0=.000100000 RMT= 1.51        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  -6: X=0.70070000 Y=0.20070000 Z=0.39390000
          MULT= 4          ISPLIT= 8
      -6: X=0.20070000 Y=0.29930000 Z=0.60610000
      -6: X=0.29930000 Y=0.79930000 Z=0.39390000
      -6: X=0.79930000 Y=0.70070000 Z=0.60610000
O          NPT=  781  R0=.000100000 RMT= 1.51        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000