P   LATTICE,NONEQUIV.ATOMS   6  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
 11.247083 11.247083 18.947528 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.31960000 Y=0.68040000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -1: X=0.68040000 Y=0.31960000 Z=0.00000000
      -1: X=0.81960000 Y=0.81960000 Z=0.50000000
      -1: X=0.18040000 Y=0.18040000 Z=0.50000000
K          NPT=  781  R0=.000050000 RMT= 2.50000     Z:  19.00000              
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=0.22550000
          MULT= 4          ISPLIT= 8
      -2: X=0.00000000 Y=0.00000000 Z=0.77450000
      -2: X=0.50000000 Y=0.50000000 Z=0.72550000
      -2: X=0.50000000 Y=0.50000000 Z=0.27450000
Na         NPT=  781  R0=.000100000 RMT= 2.12        Z:  11.00000              
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=0.25000000
          MULT= 4          ISPLIT=-2
      -3: X=0.00000000 Y=0.50000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.75000000
      -3: X=0.50000000 Y=0.00000000 Z=0.25000000
Na         NPT=  781  R0=.000100000 RMT= 2.12        Z:  11.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -4: X=0.18700000 Y=0.18700000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -4: X=0.81300000 Y=0.81300000 Z=0.00000000
      -4: X=0.31300000 Y=0.68700000 Z=0.50000000
      -4: X=0.68700000 Y=0.31300000 Z=0.50000000
Be         NPT=  781  R0=.000100000 RMT= 1.35        Z:   4.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000
ATOM  -5: X=0.27370000 Y=0.27370000 Z=0.13700000
          MULT= 8          ISPLIT= 8
      -5: X=0.72630000 Y=0.72630000 Z=0.86300000
      -5: X=0.22630000 Y=0.77370000 Z=0.63700000
      -5: X=0.77370000 Y=0.22630000 Z=0.36300000
      -5: X=0.72630000 Y=0.72630000 Z=0.13700000
      -5: X=0.27370000 Y=0.27370000 Z=0.86300000
      -5: X=0.77370000 Y=0.22630000 Z=0.63700000
      -5: X=0.22630000 Y=0.77370000 Z=0.36300000
O          NPT=  781  R0=.000100000 RMT= 1.57        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=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 2          ISPLIT= 8
      -6: X=0.50000000 Y=0.50000000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.57        Z:   8.00000              
LOCAL ROT MATRIX:    0.7071068 0.7071068 0.0000000
                    -0.7071068 0.7071068 0.0000000
                     0.0000000 0.0000000 1.0000000