P   LATTICE,NONEQUIV.ATOMS   4  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.621481 12.621481  9.310681 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.75000000 Y=0.25000000 Z=0.25000000
          MULT= 2          ISPLIT=-2
      -1: X=0.25000000 Y=0.75000000 Z=0.75000000
W          NPT=  781  R0=.000005000 RMT= 1.98        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  -2: X=0.25000000 Y=0.50300000 Z=0.55300000
          MULT= 8          ISPLIT= 8
      -2: X=0.75000000 Y=0.49700000 Z=0.44700000
      -2: X=0.99700000 Y=0.25000000 Z=0.05300000
      -2: X=0.00300000 Y=0.75000000 Z=0.94700000
      -2: X=0.25000000 Y=0.99700000 Z=0.55300000
      -2: X=0.75000000 Y=0.00300000 Z=0.44700000
      -2: X=0.50300000 Y=0.25000000 Z=0.05300000
      -2: X=0.49700000 Y=0.75000000 Z=0.94700000
N          NPT=  781  R0=.000100000 RMT= 1.62        Z:   7.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -3: X=0.25000000 Y=0.25000000 Z=0.30400000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.69600000
      -3: X=0.25000000 Y=0.25000000 Z=0.80400000
      -3: X=0.75000000 Y=0.75000000 Z=0.19600000
Li         NPT=  781  R0=.000100000 RMT= 1.80        Z:   3.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.46100000 Y=0.53900000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -4: X=0.53900000 Y=0.46100000 Z=0.75000000
      -4: X=0.96100000 Y=0.46100000 Z=0.75000000
      -4: X=0.03900000 Y=0.53900000 Z=0.25000000
      -4: X=0.03900000 Y=0.96100000 Z=0.25000000
      -4: X=0.96100000 Y=0.03900000 Z=0.75000000
      -4: X=0.53900000 Y=0.03900000 Z=0.75000000
      -4: X=0.46100000 Y=0.96100000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 1.80        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000