P   LATTICE,NONEQUIV.ATOMS   2  136 P42/mnm                                    
MODE OF CALC=RELA unit=bohr                                                    
  9.160069  9.160069  5.316933 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= 1.93        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=0.30180000 Y=0.30180000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.69820000 Y=0.69820000 Z=0.00000000
      -2: X=0.19820000 Y=0.80180000 Z=0.50000000
      -2: X=0.80180000 Y=0.19820000 Z=0.50000000
O          NPT=  781  R0=.000100000 RMT= 1.75        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000-0.7071068 0.7071068
                     0.0000000 0.7071068 0.7071068
                    -1.0000000 0.0000000 0.0000000