P   LATTICE,NONEQUIV.ATOMS   4  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.610142 12.610142  9.306901 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
Mo         NPT=  781  R0=.000010000 RMT= 1.90        Z:  42.00000              
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=0.50950000 Z=0.55170000
          MULT= 8          ISPLIT= 8
      -2: X=0.75000000 Y=0.49050000 Z=0.44830000
      -2: X=0.99050000 Y=0.25000000 Z=0.05170000
      -2: X=0.00950000 Y=0.75000000 Z=0.94830000
      -2: X=0.25000000 Y=0.99050000 Z=0.55170000
      -2: X=0.75000000 Y=0.00950000 Z=0.44830000
      -2: X=0.50950000 Y=0.25000000 Z=0.05170000
      -2: X=0.49050000 Y=0.75000000 Z=0.94830000
N          NPT=  781  R0=.000100000 RMT= 1.63        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=0.33580000
          MULT= 4          ISPLIT= 8
      -3: X=0.75000000 Y=0.75000000 Z=0.66420000
      -3: X=0.25000000 Y=0.25000000 Z=0.83580000
      -3: X=0.75000000 Y=0.75000000 Z=0.16420000
Li         NPT=  781  R0=.000100000 RMT= 1.77        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=0.46320000 Y=0.53680000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -4: X=0.53680000 Y=0.46320000 Z=0.75000000
      -4: X=0.96320000 Y=0.46320000 Z=0.75000000
      -4: X=0.03680000 Y=0.53680000 Z=0.25000000
      -4: X=0.03680000 Y=0.96320000 Z=0.25000000
      -4: X=0.96320000 Y=0.03680000 Z=0.75000000
      -4: X=0.53680000 Y=0.03680000 Z=0.75000000
      -4: X=0.46320000 Y=0.96320000 Z=0.25000000
Li         NPT=  781  R0=.000100000 RMT= 1.77        Z:   3.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000