P   LATTICE,NONEQUIV.ATOMS   4  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
  8.855824  8.855824 17.368473 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -1: X=0.50000000 Y=0.50000000 Z=0.50000000
Mo         NPT=  781  R0=.000010000 RMT= 1.86        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=0.00000000 Y=0.00000000 Z=0.33700000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.66300000
      -2: X=0.50000000 Y=0.50000000 Z=0.83700000
      -2: X=0.50000000 Y=0.50000000 Z=0.16300000
Li         NPT=  781  R0=.000100000 RMT= 1.66        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  -3: X=0.30520000 Y=0.30520000 Z=0.34240000
          MULT= 8          ISPLIT= 8
      -3: X=0.69480000 Y=0.69480000 Z=0.65760000
      -3: X=0.19480000 Y=0.80520000 Z=0.84240000
      -3: X=0.80520000 Y=0.19480000 Z=0.15760000
      -3: X=0.69480000 Y=0.69480000 Z=0.34240000
      -3: X=0.30520000 Y=0.30520000 Z=0.65760000
      -3: X=0.80520000 Y=0.19480000 Z=0.84240000
      -3: X=0.19480000 Y=0.80520000 Z=0.15760000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29090000 Y=0.29090000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.70910000 Y=0.70910000 Z=0.00000000
      -4: X=0.20910000 Y=0.79090000 Z=0.50000000
      -4: X=0.79090000 Y=0.20910000 Z=0.50000000
F          NPT=  781  R0=.000100000 RMT= 1.77        Z:   9.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000