P   LATTICE,NONEQUIV.ATOMS   6  113 P-421m                                     
MODE OF CALC=RELA unit=bohr                                                    
 14.046334 14.046334  9.442961 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.16376000 Y=0.66376000 Z=0.48894000
          MULT= 4          ISPLIT= 8
      -1: X=0.66376000 Y=0.83624000 Z=0.51106000
      -1: X=0.83624000 Y=0.33624000 Z=0.48894000
      -1: X=0.33624000 Y=0.16376000 Z=0.51106000
Ca         NPT=  781  R0=.000050000 RMT= 2.17        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT=-2
      -2: X=0.50000000 Y=0.50000000 Z=0.00000000
Be         NPT=  781  R0=.000100000 RMT= 1.44        Z:   4.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.64675000 Y=0.14675000 Z=0.96040000
          MULT= 4          ISPLIT= 8
      -3: X=0.14675000 Y=0.35325000 Z=0.03960000
      -3: X=0.35325000 Y=0.85325000 Z=0.96040000
      -3: X=0.85325000 Y=0.64675000 Z=0.03960000
Si         NPT=  781  R0=.000100000 RMT= 1.38        Z:  14.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.00000000 Y=0.50000000 Z=0.16410000
          MULT= 2          ISPLIT= 8
      -4: X=0.50000000 Y=0.00000000 Z=0.83590000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.64060000 Y=0.14060000 Z=0.27860000
          MULT= 4          ISPLIT= 8
      -5: X=0.14060000 Y=0.35940000 Z=0.72140000
      -5: X=0.35940000 Y=0.85940000 Z=0.27860000
      -5: X=0.85940000 Y=0.64060000 Z=0.72140000
O          NPT=  781  R0=.000100000 RMT= 1.61        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=0.08560000 Y=0.16680000 Z=0.18160000
          MULT= 8          ISPLIT= 8
      -6: X=0.16680000 Y=0.91440000 Z=0.81840000
      -6: X=0.58560000 Y=0.33320000 Z=0.81840000
      -6: X=0.91440000 Y=0.83320000 Z=0.18160000
      -6: X=0.33320000 Y=0.41440000 Z=0.18160000
      -6: X=0.83320000 Y=0.08560000 Z=0.81840000
      -6: X=0.41440000 Y=0.66680000 Z=0.81840000
      -6: X=0.66680000 Y=0.58560000 Z=0.18160000
O          NPT=  781  R0=.000100000 RMT= 1.61        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000