P   LATTICE,NONEQUIV.ATOMS   4   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 10.546751 14.700369 10.298818 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.04610000 Y=0.25000000 Z=0.48940000
          MULT= 4          ISPLIT= 8
      -1: X=0.95390000 Y=0.75000000 Z=0.51060000
      -1: X=0.54610000 Y=0.25000000 Z=0.01060000
      -1: X=0.45390000 Y=0.75000000 Z=0.98940000
Ca         NPT=  781  R0=.000050000 RMT= 2.23        Z:  20.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -2: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 4          ISPLIT= 8
      -2: X=0.50000000 Y=0.00000000 Z=0.50000000
      -2: X=0.50000000 Y=0.50000000 Z=0.50000000
      -2: X=0.00000000 Y=0.50000000 Z=0.00000000
Mo         NPT=  781  R0=.000010000 RMT= 1.97        Z:  42.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -3: X=0.47500000 Y=0.25000000 Z=0.58100000
          MULT= 4          ISPLIT= 8
      -3: X=0.52500000 Y=0.75000000 Z=0.41900000
      -3: X=0.97500000 Y=0.25000000 Z=0.91900000
      -3: X=0.02500000 Y=0.75000000 Z=0.08100000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.29210000 Y=0.04530000 Z=0.20550000
          MULT= 8          ISPLIT= 8
      -4: X=0.70790000 Y=0.95470000 Z=0.79450000
      -4: X=0.79210000 Y=0.04530000 Z=0.29450000
      -4: X=0.20790000 Y=0.95470000 Z=0.70550000
      -4: X=0.20790000 Y=0.54530000 Z=0.70550000
      -4: X=0.79210000 Y=0.45470000 Z=0.29450000
      -4: X=0.70790000 Y=0.54530000 Z=0.79450000
      -4: X=0.29210000 Y=0.45470000 Z=0.20550000
O          NPT=  781  R0=.000100000 RMT= 1.78        Z:   8.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000