P   LATTICE,NONEQUIV.ATOMS   3  137 P42/nmc                                    
MODE OF CALC=RELA unit=bohr                                                    
 12.568569 12.568569  9.097142 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.25000000 Y=0.04505000 Z=0.04452000
          MULT= 8          ISPLIT= 8
      -1: X=0.75000000 Y=0.95495000 Z=0.95548000
      -1: X=0.45495000 Y=0.25000000 Z=0.54452000
      -1: X=0.54505000 Y=0.75000000 Z=0.45548000
      -1: X=0.25000000 Y=0.45495000 Z=0.04452000
      -1: X=0.75000000 Y=0.54505000 Z=0.95548000
      -1: X=0.04505000 Y=0.25000000 Z=0.54452000
      -1: X=0.95495000 Y=0.75000000 Z=0.45548000
Nb         NPT=  781  R0=.000010000 RMT= 2.05        Z:  41.00000              
LOCAL ROT MATRIX:    0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
ATOM  -2: X=0.75000000 Y=0.25000000 Z=0.75000000
          MULT= 2          ISPLIT=-2
      -2: X=0.25000000 Y=0.75000000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.85        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  -3: X=0.53670000 Y=0.46330000 Z=0.25000000
          MULT= 8          ISPLIT= 8
      -3: X=0.46330000 Y=0.53670000 Z=0.75000000
      -3: X=0.03670000 Y=0.53670000 Z=0.75000000
      -3: X=0.96330000 Y=0.46330000 Z=0.25000000
      -3: X=0.96330000 Y=0.03670000 Z=0.25000000
      -3: X=0.03670000 Y=0.96330000 Z=0.75000000
      -3: X=0.46330000 Y=0.96330000 Z=0.75000000
      -3: X=0.53670000 Y=0.03670000 Z=0.25000000
O          NPT=  781  R0=.000100000 RMT= 1.85        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068-0.7071068
                     0.0000000-0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000